3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide

C24H18ClFN6O — CID 134522474

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCn1cnnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN6O/c25-21-4-2-1-3-19(21)23-20-10-5-16(24(33)27-11-12-31-14-28-29-15-31)13-22(20)32(30-23)18-8-6-17(26)7-9-18/h1-10,13-15H,11-12H2,(H,27,33)
InChIKeyNYAGXMSTGUCZOO-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.51
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide (PubChem CID 134522474) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide
PubChem CID134522474
Molecular FormulaC24H18ClFN6O
Molecular Weight460.90 g/mol
Exact Mass460.12
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCn1cnnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN6O/c25-21-4-2-1-3-19(21)23-20-10-5-16(24(33)27-11-12-31-14-28-29-15-31)13-22(20)32(30-23)18-8-6-17(26)7-9-18/h1-10,13-15H,11-12H2,(H,27,33)
InChIKeyNYAGXMSTGUCZOO-UHFFFAOYSA-N
XLogP4.51
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide (CID 134522474) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide is O=C(NCCn1cnnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide?
The InChIKey is NYAGXMSTGUCZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c25-21-4-2-1-3-19(21)23-20-10-5-16(24(33)27-11-12-31-14-28-29-15-31)13-22(20)32(30-23)18-8-6-17(26)7-9-18/h1-10,13-15H,11-12H2,(H,27,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide has a molecular weight of 460.90 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 134522474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).