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

C34H24FN5O — CID 137087949

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

N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide (PubChem CID 137087949) has the molecular formula C34H24FN5O and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide
• PubChem CID: 137087949
• Molecular Formula: C34H24FN5O
• Molecular Weight: 537.60 g/mol
• Exact Mass: 537.20
• IUPAC Name: N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C34H24FN5O/c35-24-14-12-22(13-15-24)26-10-5-11-29-27(26)20-31(37-29)34-33-30(39-40-34)17-16-28(38-33)23-8-4-9-25(19-23)36-32(41)18-21-6-2-1-3-7-21/h1-17,19-20,37H,18H2,(H,36,41)(H,39,40)
• InChIKey: FQPPMSZJCVRWFE-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.60
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide (CID 137087949) is N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide.

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

The canonical SMILES for N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is FQPPMSZJCVRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN5O/c35-24-14-12-22(13-15-24)26-10-5-11-29-27(26)20-31(37-29)34-33-30(39-40-34)17-16-28(38-33)23-8-4-9-25(19-23)36-32(41)18-21-6-2-1-3-7-21/h1-17,19-20,37H,18H2,(H,36,41)(H,39,40).

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

N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide has a molecular weight of 537.60 g/mol, XLogP of 7.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 137087949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).