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

C29H23F2N7O — CID 137135169

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

N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137135169) has the molecular formula C29H23F2N7O and a molecular weight of 523.55 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137135169
• Molecular Formula: C29H23F2N7O
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.19
• IUPAC Name: N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C29H23F2N7O/c1-2-3-8-23(39)34-17-13-16(14-32-15-17)18-9-10-22-24(25(18)31)27(38-37-22)29-35-26-20(11-12-33-28(26)36-29)19-6-4-5-7-21(19)30/h4-7,9-15H,2-3,8H2,1H3,(H,34,39)(H,37,38)(H,33,35,36)
• InChIKey: BVWQMJITEPCMRP-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137135169) is N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2F)c1.

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

The InChIKey is BVWQMJITEPCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N7O/c1-2-3-8-23(39)34-17-13-16(14-32-15-17)18-9-10-22-24(25(18)31)27(38-37-22)29-35-26-20(11-12-33-28(26)36-29)19-6-4-5-7-21(19)30/h4-7,9-15H,2-3,8H2,1H3,(H,34,39)(H,37,38)(H,33,35,36).

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

N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 523.55 g/mol, XLogP of 6.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137135169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).