8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

C22H22N6O — CID 155458377

IUPAC8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H22N6O/c23-11-16-9-17-13-25-22(26-18-6-5-15-12-24-8-7-14(15)10-18)27-20(17)28(21(16)29)19-3-1-2-4-19/h5-6,9-10,13,19,24H,1-4,7-8,12H2,(H,25,26,27)
InChIKeyUFSAZPIJJSAVDY-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.17
Rot. Bonds3

About 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458377) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458377
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H22N6O/c23-11-16-9-17-13-25-22(26-18-6-5-15-12-24-8-7-14(15)10-18)27-20(17)28(21(16)29)19-3-1-2-4-19/h5-6,9-10,13,19,24H,1-4,7-8,12H2,(H,25,26,27)
InChIKeyUFSAZPIJJSAVDY-UHFFFAOYSA-N
XLogP3.17
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

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
8-cyclopentyl-7-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572426
8-cyclopentyl-7-oxo-2-[(2-piperidin-4-yl-1-benzofuran-5-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458829
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458655
8-cyclopentyl-7-oxo-2-[(1-oxo-3-piperazin-1-yl-2H-isoquinolin-6-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458784
8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458625
8-(3-ethoxypropyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458901
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine
CID 167615847
8-cyclopentyl-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828
8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458560

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458377) is 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is UFSAZPIJJSAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-11-16-9-17-13-25-22(26-18-6-5-15-12-24-8-7-14(15)10-18)27-20(17)28(21(16)29)19-3-1-2-4-19/h5-6,9-10,13,19,24H,1-4,7-8,12H2,(H,25,26,27).
What are the key properties of 8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.17, 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-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).