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

C20H24N4OS — CID 71835904

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

[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 71835904) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
• PubChem CID: 71835904
• Molecular Formula: C20H24N4OS
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.17
• IUPAC Name: [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
• SMILES: Cc1ccc(C(=O)N2CCC(c3nc4ccncc4n3CC(C)C)C2)s1
• InChI: InChI=1S/C20H24N4OS/c1-13(2)11-24-17-10-21-8-6-16(17)22-19(24)15-7-9-23(12-15)20(25)18-5-4-14(3)26-18/h4-6,8,10,13,15H,7,9,11-12H2,1-3H3
• InChIKey: QALCUOQVRISTTE-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 71835904) is [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

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

The canonical SMILES for [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(c3nc4ccncc4n3CC(C)C)C2)s1.

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

The InChIKey is QALCUOQVRISTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13(2)11-24-17-10-21-8-6-16(17)22-19(24)15-7-9-23(12-15)20(25)18-5-4-14(3)26-18/h4-6,8,10,13,15H,7,9,11-12H2,1-3H3.

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

[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 368.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71835904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).