(E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile

Formula:C23H19N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
MolecularFormula	C23H19N4O3Cl
Smiles	N#C/C(/C(N1CCCCC1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl
InChI	InChI=1S/C23H19ClN4O3/c24-18-8-2-3-9-19(18)31-21-17(23(30)28-13-7-4-10-20(28)26-21)14-16(15-25)22(29)27-11-5-1-6-12-27/h2-4,7-10,13-14H,1,5-6,11-12H2
InChIK	MGQGKTAMJHTKFR-UHFFFAOYSA-N
TotalMolweight	434.882
Molweight	434.882
MonoisotopicMass	434.114568
CLogP	3.1445
CLogS	-5.372
H Acceptors	7
TotalSurfaceArea	328.39
Relative PSA	0.20783
PolarSurfaceArea	86
Druglikeness	-1.3744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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