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

C23H36N6O3 — CID 110262571

IUPAC1-(3-methoxypropyl)-4-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-2-one
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C1CC(=O)N(CCCOC)C1)C2
InChIInChI=1S/C23H36N6O3/c1-24-22-18-7-11-29(23(31)17-13-20(30)28(14-17)8-4-12-32-3)15-19(18)25-21(26-22)16-5-9-27(2)10-6-16/h16-17H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyJUMOGMWFWZZAIL-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.10
Rot. Bonds7

About 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

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 (PubChem CID 110262571) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-2-one
PubChem CID110262571
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Name1-(3-methoxypropyl)-4-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-2-one
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C1CC(=O)N(CCCOC)C1)C2
InChIInChI=1S/C23H36N6O3/c1-24-22-18-7-11-29(23(31)17-13-20(30)28(14-17)8-4-12-32-3)15-19(18)25-21(26-22)16-5-9-27(2)10-6-16/h16-17H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyJUMOGMWFWZZAIL-UHFFFAOYSA-N
XLogP1.10
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92624926
[(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
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-[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-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110245917
4-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 108743497
(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 95832528
1-[4-(methylamino)-2-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95836531
(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95834232
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 110265779
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 113182538

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C1CC(=O)N(CCCOC)C1)C2.
What is the InChIKey of 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?
The InChIKey is JUMOGMWFWZZAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-24-22-18-7-11-29(23(31)17-13-20(30)28(14-17)8-4-12-32-3)15-19(18)25-21(26-22)16-5-9-27(2)10-6-16/h16-17H,4-15H2,1-3H3,(H,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 444.58 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110262571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).