N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C32H23F2N7 — CID 137134732

About N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137134732) has the molecular formula C32H23F2N7 and a molecular weight of 543.58 g/mol. Its IUPAC name is N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 137134732
• Molecular Formula: C32H23F2N7
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.20
• IUPAC Name: N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: Fc1cc2[nH]nc(-c3nc4nccc(-c5ccccc5F)c4[nH]3)c2cc1-c1cncc(CNCc2ccccc2)c1
• InChI: InChI=1S/C32H23F2N7/c33-26-9-5-4-8-22(26)23-10-11-37-31-29(23)38-32(39-31)30-25-13-24(27(34)14-28(25)40-41-30)21-12-20(17-36-18-21)16-35-15-19-6-2-1-3-7-19/h1-14,17-18,35H,15-16H2,(H,40,41)(H,37,38,39)
• InChIKey: LNVVCSJFGVKQKZ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The IUPAC name of N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137134732) is N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

What is the SMILES notation for N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The canonical SMILES for N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Fc1cc2[nH]nc(-c3nc4nccc(-c5ccccc5F)c4[nH]3)c2cc1-c1cncc(CNCc2ccccc2)c1.

What is the InChIKey of N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The InChIKey is LNVVCSJFGVKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N7/c33-26-9-5-4-8-22(26)23-10-11-37-31-29(23)38-32(39-31)30-25-13-24(27(34)14-28(25)40-41-30)21-12-20(17-36-18-21)16-35-15-19-6-2-1-3-7-19/h1-14,17-18,35H,15-16H2,(H,40,41)(H,37,38,39).

What are the key properties of N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 543.58 g/mol, XLogP of 6.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137134732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).