8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one

C30H40N6O2 — CID 156734428

IUPAC8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N[C@@H](C)c3ccc(C4(N5CCNCC5)CCOCC4)cc3)ncc12
InChIInChI=1S/C30H40N6O2/c1-21-19-27(37)36(25-5-3-4-6-25)28-26(21)20-32-29(34-28)33-22(2)23-7-9-24(10-8-23)30(11-17-38-18-12-30)35-15-13-31-14-16-35/h7-10,19-20,22,25,31H,3-6,11-18H2,1-2H3,(H,32,33,34)/t22-/m0/s1
InChIKeyVMQUXZSZERVFFR-QFIPXVFZSA-N
MW516.69 g/mol
LogP4.30
Rot. Bonds6

About 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156734428) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156734428
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC Name8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N[C@@H](C)c3ccc(C4(N5CCNCC5)CCOCC4)cc3)ncc12
InChIInChI=1S/C30H40N6O2/c1-21-19-27(37)36(25-5-3-4-6-25)28-26(21)20-32-29(34-28)33-22(2)23-7-9-24(10-8-23)30(11-17-38-18-12-30)35-15-13-31-14-16-35/h7-10,19-20,22,25,31H,3-6,11-18H2,1-2H3,(H,32,33,34)/t22-/m0/s1
InChIKeyVMQUXZSZERVFFR-QFIPXVFZSA-N
XLogP4.30
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-cyclopentyl-5-methyl-N-[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 175778098
8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 171795723
8-cyclopentyl-5-methyl-2-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10114562
8-propan-2-yl-2-[[(1S)-1-[4-[4-[4-(2,3,3-trideuterioprop-2-enoyl)piperazin-1-yl]oxan-4-yl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166568605
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 137436787
2-[3-chloro-4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 10281305
8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163387131
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11483180
8-cyclopentyl-2-[4-(diethylphosphoryloxymethyl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 175240498
tert-butyl 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,4-diazepane-1-carboxylate
CID 11179909
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 156734428) is 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(N[C@@H](C)c3ccc(C4(N5CCNCC5)CCOCC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VMQUXZSZERVFFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-21-19-27(37)36(25-5-3-4-6-25)28-26(21)20-32-29(34-28)33-22(2)23-7-9-24(10-8-23)30(11-17-38-18-12-30)35-15-13-31-14-16-35/h7-10,19-20,22,25,31H,3-6,11-18H2,1-2H3,(H,32,33,34)/t22-/m0/s1.
What are the key properties of 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 516.69 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-[[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156734428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).