5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

C23H18BrClN6O — CID 166984988

IUPAC5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1nn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12
InChIInChI=1S/C23H18BrClN6O/c24-16-6-9-19-18(13-16)22(29-31(19)14-15-4-7-17(25)8-5-15)23(32)26-11-10-21-28-27-20-3-1-2-12-30(20)21/h1-9,12-13H,10-11,14H2,(H,26,32)
InChIKeyNVANZWGJQLDSAN-UHFFFAOYSA-N
MW509.80 g/mol
LogP4.52
Rot. Bonds6

About 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984988) has the molecular formula C23H18BrClN6O and a molecular weight of 509.80 g/mol. Its IUPAC name is 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
PubChem CID166984988
Molecular FormulaC23H18BrClN6O
Molecular Weight509.80 g/mol
Exact Mass508.04
IUPAC Name5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1nn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12
InChIInChI=1S/C23H18BrClN6O/c24-16-6-9-19-18(13-16)22(29-31(19)14-15-4-7-17(25)8-5-15)23(32)26-11-10-21-28-27-20-3-1-2-12-30(20)21/h1-9,12-13H,10-11,14H2,(H,26,32)
InChIKeyNVANZWGJQLDSAN-UHFFFAOYSA-N
XLogP4.52
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-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 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984988) is 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1nn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The InChIKey is NVANZWGJQLDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN6O/c24-16-6-9-19-18(13-16)22(29-31(19)14-15-4-7-17(25)8-5-15)23(32)26-11-10-21-28-27-20-3-1-2-12-30(20)21/h1-9,12-13H,10-11,14H2,(H,26,32).
What are the key properties of 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 509.80 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).