[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C23H35N5O — CID 92625677

IUPAC[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc2c1CCN(C)C2
InChIInChI=1S/C23H35N5O/c1-15-5-6-18(13-16(15)2)23(29)28-11-7-17(8-12-28)21-25-20-14-27(4)10-9-19(20)22(24-3)26-21/h17-18H,5-14H2,1-4H3,(H,24,25,26)/t18-/m1/s1
InChIKeyFKFIRBCKNRXTGG-GOSISDBHSA-N
MW397.57 g/mol
LogP3.35
Rot. Bonds3

About [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone

[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92625677) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID92625677
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc2c1CCN(C)C2
InChIInChI=1S/C23H35N5O/c1-15-5-6-18(13-16(15)2)23(29)28-11-7-17(8-12-28)21-25-20-14-27(4)10-9-19(20)22(24-3)26-21/h17-18H,5-14H2,1-4H3,(H,24,25,26)/t18-/m1/s1
InChIKeyFKFIRBCKNRXTGG-GOSISDBHSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127251909
1-[3-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 92625147
1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92625454
[(1S)-3,4-dimethylcyclohex-3-en-1-yl]-[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 124996185
1-(3-methoxypropyl)-4-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-2-one
CID 110262571
N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92625516
1-[4-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 92625056
3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127251923
1-[4-(methylamino)-2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625258
(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265764
1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 92623544

Frequently Asked Questions

What is the IUPAC name of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 92625677) is [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is CNc1nc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc2c1CCN(C)C2.
What is the InChIKey of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is FKFIRBCKNRXTGG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35N5O/c1-15-5-6-18(13-16(15)2)23(29)28-11-7-17(8-12-28)21-25-20-14-27(4)10-9-19(20)22(24-3)26-21/h17-18H,5-14H2,1-4H3,(H,24,25,26)/t18-/m1/s1.
What are the key properties of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 397.57 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92625677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).