N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

C32H21FN6O — CID 137115059

About N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137115059) has the molecular formula C32H21FN6O and a molecular weight of 524.56 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 137115059
• Molecular Formula: C32H21FN6O
• Molecular Weight: 524.56 g/mol
• Exact Mass: 524.18
• IUPAC Name: N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3n2)c1)c1ccccc1
• InChI: InChI=1S/C32H21FN6O/c33-25-11-5-4-9-23(25)22-10-6-12-27-24(22)16-29(36-27)31-30-28(38-39-31)14-13-26(37-30)20-15-21(18-34-17-20)35-32(40)19-7-2-1-3-8-19/h1-18,36H,(H,35,40)(H,38,39)
• InChIKey: VGYGPVWIGQGQQB-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.56
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137115059) is N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3n2)c1)c1ccccc1.

What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The InChIKey is VGYGPVWIGQGQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN6O/c33-25-11-5-4-9-23(25)22-10-6-12-27-24(22)16-29(36-27)31-30-28(38-39-31)14-13-26(37-30)20-15-21(18-34-17-20)35-32(40)19-7-2-1-3-8-19/h1-18,36H,(H,35,40)(H,38,39).

What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 524.56 g/mol, XLogP of 7.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137115059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).