8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile

C23H22N6O2 — CID 155458658

IUPAC8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(c3)C(=O)NCCC4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H22N6O2/c24-12-15-10-16-13-26-23(28-20(16)29(22(15)31)18-5-1-2-6-18)27-17-8-7-14-4-3-9-25-21(30)19(14)11-17/h7-8,10-11,13,18H,1-6,9H2,(H,25,30)(H,26,27,28)
InChIKeyWHYFJOVBARGDAD-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.20
Rot. Bonds3

About 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458658) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458658
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(c3)C(=O)NCCC4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H22N6O2/c24-12-15-10-16-13-26-23(28-20(16)29(22(15)31)18-5-1-2-6-18)27-17-8-7-14-4-3-9-25-21(30)19(14)11-17/h7-8,10-11,13,18H,1-6,9H2,(H,25,30)(H,26,27,28)
InChIKeyWHYFJOVBARGDAD-UHFFFAOYSA-N
XLogP3.20
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458658) is 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cnc(Nc3ccc4c(c3)C(=O)NCCC4)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is WHYFJOVBARGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-12-15-10-16-13-26-23(28-20(16)29(22(15)31)18-5-1-2-6-18)27-17-8-7-14-4-3-9-25-21(30)19(14)11-17/h7-8,10-11,13,18H,1-6,9H2,(H,25,30)(H,26,27,28).
What are the key properties of 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).