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

C27H29FN6O — CID 46344473

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

N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 46344473) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• PubChem CID: 46344473
• Molecular Formula: C27H29FN6O
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.24
• IUPAC Name: N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• SMILES: Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1
• InChI: InChI=1S/C27H29FN6O/c1-20-7-9-22(10-8-20)25-31-24-6-3-11-29-26(24)34(25)17-14-32-12-15-33(16-13-32)27(35)30-19-21-4-2-5-23(28)18-21/h2-11,18H,12-17,19H2,1H3,(H,30,35)
• InChIKey: UMKWPFUOIHQTHE-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (CID 46344473) is N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

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

The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1.

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

The InChIKey is UMKWPFUOIHQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O/c1-20-7-9-22(10-8-20)25-31-24-6-3-11-29-26(24)34(25)17-14-32-12-15-33(16-13-32)27(35)30-19-21-4-2-5-23(28)18-21/h2-11,18H,12-17,19H2,1H3,(H,30,35).

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

N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).