4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide

C25H31ClN4O2 — CID 18733151

About 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide

4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 18733151) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
• PubChem CID: 18733151
• Molecular Formula: C25H31ClN4O2
• Molecular Weight: 455.00 g/mol
• Exact Mass: 454.21
• IUPAC Name: 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
• SMILES: COc1cc(Cl)ccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1
• InChI: InChI=1S/C25H31ClN4O2/c1-17(2)12-14-29(25(31)20-11-10-18(26)15-22(20)32-3)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3
• InChIKey: GCLLWYWUHJKNAX-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.00
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?

The IUPAC name of 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide (CID 18733151) is 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide.

What is the SMILES notation for 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?

The canonical SMILES for 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide is COc1cc(Cl)ccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1.

What is the InChIKey of 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?

The InChIKey is GCLLWYWUHJKNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-17(2)12-14-29(25(31)20-11-10-18(26)15-22(20)32-3)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3.

What are the key properties of 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?

4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 455.00 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).