6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C27H31N7O2 — CID 118856914

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cc4ccn(CC5CCCN5)c4cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C27H31N7O2/c1-16-21-13-30-27(32-25(21)34(20-7-3-4-8-20)26(36)24(16)17(2)35)31-23-12-18-9-11-33(22(18)14-29-23)15-19-6-5-10-28-19/h9,11-14,19-20,28H,3-8,10,15H2,1-2H3,(H,29,30,31,32)
InChIKeyFITBHNUOGPEYJH-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.26
Rot. Bonds6

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118856914) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID118856914
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cc4ccn(CC5CCCN5)c4cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C27H31N7O2/c1-16-21-13-30-27(32-25(21)34(20-7-3-4-8-20)26(36)24(16)17(2)35)31-23-12-18-9-11-33(22(18)14-29-23)15-19-6-5-10-28-19/h9,11-14,19-20,28H,3-8,10,15H2,1-2H3,(H,29,30,31,32)
InChIKeyFITBHNUOGPEYJH-UHFFFAOYSA-N
XLogP4.26
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

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-[[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methyl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699804
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-2-[[5-(2-aminoethylamino)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329976
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
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-2-[[5-[bis(2-methoxyethyl)amino]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330295
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 145063342
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-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-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 118856914) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3cc4ccn(CC5CCCN5)c4cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FITBHNUOGPEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-16-21-13-30-27(32-25(21)34(20-7-3-4-8-20)26(36)24(16)17(2)35)31-23-12-18-9-11-33(22(18)14-29-23)15-19-6-5-10-28-19/h9,11-14,19-20,28H,3-8,10,15H2,1-2H3,(H,29,30,31,32).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 485.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118856914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).