1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C21H24N4O3 — CID 92549727

About 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92549727) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 92549727
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• SMILES: COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2
• InChI: InChI=1S/C21H24N4O3/c1-14(26)24-11-9-17-15(13-24)12-22-20(23-17)18-7-5-10-25(18)21(27)16-6-3-4-8-19(16)28-2/h3-4,6,8,12,18H,5,7,9-11,13H2,1-2H3/t18-/m1/s1
• InChIKey: JMMIEQADAZQCQQ-GOSISDBHSA-N
• XLogP: 2.37
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92549727) is 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2.

What is the InChIKey of 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is JMMIEQADAZQCQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(26)24-11-9-17-15(13-24)12-22-20(23-17)18-7-5-10-25(18)21(27)16-6-3-4-8-19(16)28-2/h3-4,6,8,12,18H,5,7,9-11,13H2,1-2H3/t18-/m1/s1.

What are the key properties of 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92549727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).