N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

C32H21FN6O — CID 136258494

IUPACN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CC4=C(C=C3)NN=C4C5=NC6=C(C=CC=C6N5)C7=CC=CC=C7F
InChIInChI=1S/C32H21FN6O/c33-26-11-5-4-9-23(26)24-10-6-12-28-29(24)37-31(36-28)30-25-16-20(13-14-27(25)38-39-30)21-15-22(18-34-17-21)35-32(40)19-7-2-1-3-8-19/h1-18H,(H,35,40)(H,36,37)(H,38,39)
InChIKeyUIWBUIPBEMOJBZ-UHFFFAOYSA-N
MW524.50 g/mol
LogP5.90
Rot. Bonds5

About N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 136258494) has the molecular formula C32H21FN6O and a molecular weight of 524.50 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID136258494
Molecular FormulaC32H21FN6O
Molecular Weight524.50 g/mol
Exact Mass524.18
IUPAC NameN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CC4=C(C=C3)NN=C4C5=NC6=C(C=CC=C6N5)C7=CC=CC=C7F
InChIInChI=1S/C32H21FN6O/c33-26-11-5-4-9-23(26)24-10-6-12-28-29(24)37-31(36-28)30-25-16-20(13-14-27(25)38-39-30)21-15-22(18-34-17-21)35-32(40)19-7-2-1-3-8-19/h1-18H,(H,35,40)(H,36,37)(H,38,39)
InChIKeyUIWBUIPBEMOJBZ-UHFFFAOYSA-N
XLogP5.90
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity870

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.50
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 136258494) is N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CC4=C(C=C3)NN=C4C5=NC6=C(C=CC=C6N5)C7=CC=CC=C7F.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is UIWBUIPBEMOJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN6O/c33-26-11-5-4-9-23(26)24-10-6-12-28-29(24)37-31(36-28)30-25-16-20(13-14-27(25)38-39-30)21-15-22(18-34-17-21)35-32(40)19-7-2-1-3-8-19/h1-18H,(H,35,40)(H,36,37)(H,38,39).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 524.50 g/mol, XLogP of 5.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).