N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

C25H34N6O — CID 46389486

About N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 46389486) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• PubChem CID: 46389486
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• SMILES: Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NCCC(C)C)CC2)cc1
• InChI: InChI=1S/C25H34N6O/c1-19(2)10-12-27-25(32)30-16-13-29(14-17-30)15-18-31-23(21-8-6-20(3)7-9-21)28-22-5-4-11-26-24(22)31/h4-9,11,19H,10,12-18H2,1-3H3,(H,27,32)
• InChIKey: RLPNIBIDLUQVIG-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The IUPAC name of N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (CID 46389486) is N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The canonical SMILES for N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NCCC(C)C)CC2)cc1.

What is the InChIKey of N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The InChIKey is RLPNIBIDLUQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-19(2)10-12-27-25(32)30-16-13-29(14-17-30)15-18-31-23(21-8-6-20(3)7-9-21)28-22-5-4-11-26-24(22)31/h4-9,11,19H,10,12-18H2,1-3H3,(H,27,32).

What are the key properties of N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46389486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).