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

C24H24F2N6O — CID 155458584

IUPAC8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1(C)NCCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5(F)F)c4n3)ccc21
InChIInChI=1S/C24H24F2N6O/c1-23(2)18-6-5-17(11-14(18)7-9-29-23)30-22-28-13-16-10-15(12-27)21(33)32(20(16)31-22)19-4-3-8-24(19,25)26/h5-6,10-11,13,19,29H,3-4,7-9H2,1-2H3,(H,28,30,31)
InChIKeyQNZSWQKHNJSZFK-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.15
Rot. Bonds3

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

8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458584) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458584
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1(C)NCCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5(F)F)c4n3)ccc21
InChIInChI=1S/C24H24F2N6O/c1-23(2)18-6-5-17(11-14(18)7-9-29-23)30-22-28-13-16-10-15(12-27)21(33)32(20(16)31-22)19-4-3-8-24(19,25)26/h5-6,10-11,13,19,29H,3-4,7-9H2,1-2H3,(H,28,30,31)
InChIKeyQNZSWQKHNJSZFK-UHFFFAOYSA-N
XLogP4.15
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458964
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-[[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-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-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458658
6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-ethyl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 155201156
8-cyclopentyl-7-oxo-2-[(2-piperidin-4-yl-1-benzofuran-5-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458829
7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458655
8-(2,2-dimethylcyclopentyl)-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155572255
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
2-[4-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 155204387

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458584) is 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CC1(C)NCCc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5(F)F)c4n3)ccc21.
What is the InChIKey of 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is QNZSWQKHNJSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-23(2)18-6-5-17(11-14(18)7-9-29-23)30-22-28-13-16-10-15(12-27)21(33)32(20(16)31-22)19-4-3-8-24(19,25)26/h5-6,10-11,13,19,29H,3-4,7-9H2,1-2H3,(H,28,30,31).
What are the key properties of 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 450.49 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluorocyclopentyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).