6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H32N4O3 — CID 136850300

About 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136850300) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136850300
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CN(C3CCCC3)CC4)C2)c1
• InChI: InChI=1S/C25H32N4O3/c1-32-20-8-4-5-17(13-20)14-23(30)29-11-9-18(15-29)24-26-22-10-12-28(19-6-2-3-7-19)16-21(22)25(31)27-24/h4-5,8,13,18-19H,2-3,6-7,9-12,14-16H2,1H3,(H,26,27,31)/t18-/m0/s1
• InChIKey: DZHQLQYYACFZKO-SFHVURJKSA-N
• XLogP: 2.64
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136850300) is 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CN(C3CCCC3)CC4)C2)c1.

What is the InChIKey of 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is DZHQLQYYACFZKO-SFHVURJKSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-32-20-8-4-5-17(13-20)14-23(30)29-11-9-18(15-29)24-26-22-10-12-28(19-6-2-3-7-19)16-21(22)25(31)27-24/h4-5,8,13,18-19H,2-3,6-7,9-12,14-16H2,1H3,(H,26,27,31)/t18-/m0/s1.

What are the key properties of 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 436.56 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136850300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).