8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C22H25N7O2 — CID 155458739

IUPAC8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3cnn(C4CCC(O)CC4)c3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H25N7O2/c23-10-14-9-15-11-24-22(27-20(15)29(21(14)31)18-3-1-2-4-18)26-16-12-25-28(13-16)17-5-7-19(30)8-6-17/h9,11-13,17-19,30H,1-8H2,(H,24,26,27)
InChIKeyCZBPFMMWVKNAQG-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.19
Rot. Bonds4

About 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458739) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458739
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cnc(Nc3cnn(C4CCC(O)CC4)c3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H25N7O2/c23-10-14-9-15-11-24-22(27-20(15)29(21(14)31)18-3-1-2-4-18)26-16-12-25-28(13-16)17-5-7-19(30)8-6-17/h9,11-13,17-19,30H,1-8H2,(H,24,26,27)
InChIKeyCZBPFMMWVKNAQG-UHFFFAOYSA-N
XLogP3.19
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
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-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828
2-(1,3-benzothiazol-2-ylamino)-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458382
8-cyclopentyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 167163071
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
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 155458519
8-cyclopentyl-2-[[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458853
2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458409

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458739) is 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cnc(Nc3cnn(C4CCC(O)CC4)c3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is CZBPFMMWVKNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c23-10-14-9-15-11-24-22(27-20(15)29(21(14)31)18-3-1-2-4-18)26-16-12-25-28(13-16)17-5-7-19(30)8-6-17/h9,11-13,17-19,30H,1-8H2,(H,24,26,27).
What are the key properties of 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 419.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).