3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide

C25H19ClFN5O — CID 134522104

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)c1cnc[nH]1
InChIInChI=1S/C25H19ClFN5O/c1-15(22-13-28-14-29-22)30-25(33)16-6-11-20-23(12-16)32(18-9-7-17(27)8-10-18)31-24(20)19-4-2-3-5-21(19)26/h2-15H,1H3,(H,28,29)(H,30,33)
InChIKeyOZKOHQFEZREGMZ-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.70
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide (PubChem CID 134522104) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide
PubChem CID134522104
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)c1cnc[nH]1
InChIInChI=1S/C25H19ClFN5O/c1-15(22-13-28-14-29-22)30-25(33)16-6-11-20-23(12-16)32(18-9-7-17(27)8-10-18)31-24(20)19-4-2-3-5-21(19)26/h2-15H,1H3,(H,28,29)(H,30,33)
InChIKeyOZKOHQFEZREGMZ-UHFFFAOYSA-N
XLogP5.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide (CID 134522104) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide is CC(NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)c1cnc[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide?
The InChIKey is OZKOHQFEZREGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c1-15(22-13-28-14-29-22)30-25(33)16-6-11-20-23(12-16)32(18-9-7-17(27)8-10-18)31-24(20)19-4-2-3-5-21(19)26/h2-15H,1H3,(H,28,29)(H,30,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(1H-imidazol-5-yl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 134522104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).