6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C26H35N7O2 — CID 177189038

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(NC3=NCCC(CN4CCNCC4)C=C3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H35N7O2/c1-17-21-15-29-26(30-22-8-7-19(9-10-28-22)16-32-13-11-27-12-14-32)31-24(21)33(20-5-3-4-6-20)25(35)23(17)18(2)34/h7-8,15,19-20,27H,3-6,9-14,16H2,1-2H3,(H,28,29,30,31)
InChIKeyNHUGJTDYCIBEQU-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.71
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177189038) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID177189038
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(NC3=NCCC(CN4CCNCC4)C=C3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H35N7O2/c1-17-21-15-29-26(30-22-8-7-19(9-10-28-22)16-32-13-11-27-12-14-32)31-24(21)33(20-5-3-4-6-20)25(35)23(17)18(2)34/h7-8,15,19-20,27H,3-6,9-14,16H2,1-2H3,(H,28,29,30,31)
InChIKeyNHUGJTDYCIBEQU-UHFFFAOYSA-N
XLogP2.71
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

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
6-acetyl-8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856900
(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide
CID 142986421
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-[4-[(3-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 167509331
6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856883
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
CID 166112371
6-acetyl-8-cyclopentyl-2-[[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 176736901
6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one;methanamine
CID 144744641
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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 177189038) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(NC3=NCCC(CN4CCNCC4)C=C3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NHUGJTDYCIBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-17-21-15-29-26(30-22-8-7-19(9-10-28-22)16-32-13-11-27-12-14-32)31-24(21)33(20-5-3-4-6-20)25(35)23(17)18(2)34/h7-8,15,19-20,27H,3-6,9-14,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.61 g/mol, XLogP of 2.71, 5 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-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177189038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).