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

C25H32N6O2 — CID 92625147

IUPAC1-[3-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CCN(C)C2
InChIInChI=1S/C25H32N6O2/c1-26-24-20-10-12-29(2)16-21(20)27-23(28-24)17-8-13-30(14-9-17)25(33)18-5-3-6-19(15-18)31-11-4-7-22(31)32/h3,5-6,15,17H,4,7-14,16H2,1-2H3,(H,26,27,28)
InChIKeyLLYGVTLSRSESFZ-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.65
Rot. Bonds4

About 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

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 (PubChem CID 92625147) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[3-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID92625147
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name1-[3-[4-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CCN(C)C2
InChIInChI=1S/C25H32N6O2/c1-26-24-20-10-12-29(2)16-21(20)27-23(28-24)17-8-13-30(14-9-17)25(33)18-5-3-6-19(15-18)31-11-4-7-22(31)32/h3,5-6,15,17H,4,7-14,16H2,1-2H3,(H,26,27,28)
InChIKeyLLYGVTLSRSESFZ-UHFFFAOYSA-N
XLogP2.65
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-[4-(methylamino)-2-[1-(3-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 110265953
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
(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
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 51300296
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
1-[4-(methylamino)-2-[(3R)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 124964878
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
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
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CCN(C)C2.
What is the InChIKey of 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?
The InChIKey is LLYGVTLSRSESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-26-24-20-10-12-29(2)16-21(20)27-23(28-24)17-8-13-30(14-9-17)25(33)18-5-3-6-19(15-18)31-11-4-7-22(31)32/h3,5-6,15,17H,4,7-14,16H2,1-2H3,(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 448.57 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92625147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).