1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one

C23H28N4O2 — CID 110241708

About 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one

1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one (PubChem CID 110241708) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one
• PubChem CID: 110241708
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one
• SMILES: CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C(C)c2ccc(C)cc2)C3)C1
• InChI: InChI=1S/C23H28N4O2/c1-15-4-6-18(7-5-15)16(2)23(29)27-11-9-21-20(14-27)12-24-22(25-21)19-8-10-26(13-19)17(3)28/h4-7,12,16,19H,8-11,13-14H2,1-3H3
• InChIKey: HMWKMTNOEPRJLJ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one?

The IUPAC name of 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one (CID 110241708) is 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one.

What is the SMILES notation for 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one?

The canonical SMILES for 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one is CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C(C)c2ccc(C)cc2)C3)C1.

What is the InChIKey of 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one?

The InChIKey is HMWKMTNOEPRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-4-6-18(7-5-15)16(2)23(29)27-11-9-21-20(14-27)12-24-22(25-21)19-8-10-26(13-19)17(3)28/h4-7,12,16,19H,8-11,13-14H2,1-3H3.

What are the key properties of 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one?

1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one has a molecular weight of 392.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 110241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).