(E)-3-[4-[6-[(E)-3-imino-3-pyrrolidin-1-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-imine
Formula:C27H30N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[4-[6-[(E)-3-imino-3-pyrrolidin-1-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-3-[4-[6-[(E)-3-imino-3-pyrrolidin-1-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-imine |
| MolecularFormula | C27H30N6 |
| Smiles | N=C(/C=C/c(cc1)ccc1-c1cn(cc(/C=C/C(N2CCCC2)=N)cc2)c2n1)N1CCCC1 |
| InChI | InChI=1S/C27H30N6/c28-25(31-15-1-2-16-31)12-7-21-5-10-23(11-6-21)24-20-33-19-22(9-14-27(33)30-24)8-13-26(29)32-17-3-4-18-32/h5-14,19-20,28-29H,1-4,15-18H2 |
| InChIK | NLWDKRPBFSTTOB-UHFFFAOYSA-N |
| TotalMolweight | 438.577 |
| Molweight | 438.577 |
| MonoisotopicMass | 438.253194 |
| CLogP | 3.2053 |
| CLogS | -4.433 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 354.33 |
| Relative PSA | 0.16149 |
| PolarSurfaceArea | 71.48 |
| Druglikeness | 3.7032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[6-[(E)-3-imino-3-pyrrolidin-1-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-imine | 2 - (E)-3-[4-[6-[(E)-3-imino-3-pyrrolidin-1-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-imine
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