8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C26H29N7O2 — CID 155458625

IUPAC8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN(C)CC(=O)N1CCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2C1
InChIInChI=1S/C26H29N7O2/c1-31(2)16-23(34)32-10-9-17-12-21(8-7-18(17)15-32)29-26-28-14-20-11-19(13-27)25(35)33(24(20)30-26)22-5-3-4-6-22/h7-8,11-12,14,22H,3-6,9-10,15-16H2,1-2H3,(H,28,29,30)
InChIKeyOYRHRLOWVMBFPJ-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.97
Rot. Bonds5

About 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458625) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458625
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN(C)CC(=O)N1CCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2C1
InChIInChI=1S/C26H29N7O2/c1-31(2)16-23(34)32-10-9-17-12-21(8-7-18(17)15-32)29-26-28-14-20-11-19(13-27)25(35)33(24(20)30-26)22-5-3-4-6-22/h7-8,11-12,14,22H,3-6,9-10,15-16H2,1-2H3,(H,28,29,30)
InChIKeyOYRHRLOWVMBFPJ-UHFFFAOYSA-N
XLogP2.97
TPSA107.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
2-[[6-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458960
2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458409
2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458959
8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458554
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-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
tert-butyl 6-[(3-cyano-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155458984
8-cyclopentyl-2-[[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458853
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 155458479
8-cyclopentyl-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 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) is 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CN(C)CC(=O)N1CCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2C1.
What is the InChIKey of 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OYRHRLOWVMBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-31(2)16-23(34)32-10-9-17-12-21(8-7-18(17)15-32)29-26-28-14-20-11-19(13-27)25(35)33(24(20)30-26)22-5-3-4-6-22/h7-8,11-12,14,22H,3-6,9-10,15-16H2,1-2H3,(H,28,29,30).
What are the key properties of 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 471.57 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).