3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

C21H24N4O2 — CID 95112570

About 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95112570) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 95112570
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: COc1ccc(CCC(=O)N2CC[C@H](c3nc4ccncc4n3C)C2)cc1
• InChI: InChI=1S/C21H24N4O2/c1-24-19-13-22-11-9-18(19)23-21(24)16-10-12-25(14-16)20(26)8-5-15-3-6-17(27-2)7-4-15/h3-4,6-7,9,11,13,16H,5,8,10,12,14H2,1-2H3/t16-/m0/s1
• InChIKey: UEWVTEYFLXAPRA-INIZCTEOSA-N
• XLogP: 2.93
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one (CID 95112570) is 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CC[C@H](c3nc4ccncc4n3C)C2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is UEWVTEYFLXAPRA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-19-13-22-11-9-18(19)23-21(24)16-10-12-25(14-16)20(26)8-5-15-3-6-17(27-2)7-4-15/h3-4,6-7,9,11,13,16H,5,8,10,12,14H2,1-2H3/t16-/m0/s1.

What are the key properties of 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95112570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).