(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone

C22H26N4O — CID 97429597

About (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone

(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 97429597) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 97429597
• Molecular Formula: C22H26N4O
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.21
• IUPAC Name: (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccccc1C(=O)N1CC[C@H](c2nc3ccncc3n2CC(C)C)C1
• InChI: InChI=1S/C22H26N4O/c1-15(2)13-26-20-12-23-10-8-19(20)24-21(26)17-9-11-25(14-17)22(27)18-7-5-4-6-16(18)3/h4-8,10,12,15,17H,9,11,13-14H2,1-3H3/t17-/m0/s1
• InChIKey: KOKVFFTVPGQDSK-KRWDZBQOSA-N
• XLogP: 4.03
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone (CID 97429597) is (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone is Cc1ccccc1C(=O)N1CC[C@H](c2nc3ccncc3n2CC(C)C)C1.

What is the InChIKey of (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is KOKVFFTVPGQDSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)13-26-20-12-23-10-8-19(20)24-21(26)17-9-11-25(14-17)22(27)18-7-5-4-6-16(18)3/h4-8,10,12,15,17H,9,11,13-14H2,1-3H3/t17-/m0/s1.

What are the key properties of (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?

(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97429597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).