(4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C20H27N5O3 — CID 92549527

About (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

(4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 92549527) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
• PubChem CID: 92549527
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
• SMILES: CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1
• InChI: InChI=1S/C20H27N5O3/c1-13(26)24-8-6-16-15(12-24)10-21-19(22-16)17-5-3-4-7-25(17)20(28)14-9-18(27)23(2)11-14/h10,14,17H,3-9,11-12H2,1-2H3/t14-,17+/m0/s1
• InChIKey: ZNQMXBUWYGICHQ-WMLDXEAASA-N
• XLogP: 0.91
• TPSA: 86.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?

The IUPAC name of (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 92549527) is (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

What is the SMILES notation for (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?

The canonical SMILES for (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1.

What is the InChIKey of (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?

The InChIKey is ZNQMXBUWYGICHQ-WMLDXEAASA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(26)24-8-6-16-15(12-24)10-21-19(22-16)17-5-3-4-7-25(17)20(28)14-9-18(27)23(2)11-14/h10,14,17H,3-9,11-12H2,1-2H3/t14-,17+/m0/s1.

What are the key properties of (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?

(4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 385.47 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 92549527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).