(E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C23H23N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C23H23N5O3
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\C1=C(N2CCCCCC2)N=C(C=CC=C2)N2C1=O
InChI	InChI=1S/C23H23N5O3/c24-15-17(22(29)25-16-18-8-7-13-31-18)14-19-21(27-10-4-1-2-5-11-27)26-20-9-3-6-12-28(20)23(19)30/h3,6-9,12-14H,1-2,4-5,10-11,16H2,(H,25,29)
InChIK	FHQPGCXCGOPMNI-UHFFFAOYSA-N
TotalMolweight	417.468
Molweight	417.468
MonoisotopicMass	417.18009
CLogP	1.4956
CLogS	-4.446
H Acceptors	8
H Donors	1
TotalSurfaceArea	331.64
Relative PSA	0.25274
PolarSurfaceArea	101.94
Druglikeness	-3.2831
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Symmetricatoms	3
Amides	2
BasicNitrogens	1
StereoCon

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1 - (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

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