6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C28H33N7O2 — CID 118856872

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4[nH]cc(C5CCN(C)CC5)c4n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C28H33N7O2/c1-16-20-14-30-28(33-26(20)35(19-6-4-5-7-19)27(37)24(16)17(2)36)32-23-9-8-22-25(31-23)21(15-29-22)18-10-12-34(3)13-11-18/h8-9,14-15,18-19,29H,4-7,10-13H2,1-3H3,(H,30,31,32,33)
InChIKeyRDTKOVVTYZNZBW-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.85
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118856872) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID118856872
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4[nH]cc(C5CCN(C)CC5)c4n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C28H33N7O2/c1-16-20-14-30-28(33-26(20)35(19-6-4-5-7-19)27(37)24(16)17(2)36)32-23-9-8-22-25(31-23)21(15-29-22)18-10-12-34(3)13-11-18/h8-9,14-15,18-19,29H,4-7,10-13H2,1-3H3,(H,30,31,32,33)
InChIKeyRDTKOVVTYZNZBW-UHFFFAOYSA-N
XLogP4.85
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118856913
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118695579
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699815
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
6-acetyl-8-cyclopentyl-2-[[5-(2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 129276109
6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699832
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 118856872) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc4[nH]cc(C5CCN(C)CC5)c4n3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RDTKOVVTYZNZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-16-20-14-30-28(33-26(20)35(19-6-4-5-7-19)27(37)24(16)17(2)36)32-23-9-8-22-25(31-23)21(15-29-22)18-10-12-34(3)13-11-18/h8-9,14-15,18-19,29H,4-7,10-13H2,1-3H3,(H,30,31,32,33).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 499.62 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118856872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).