1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

C24H21ClN6O — CID 166984672

IUPAC1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCCc3nnc4ccccn34)nn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H21ClN6O/c1-16-5-10-19-20(14-16)31(15-17-6-8-18(25)9-7-17)29-23(19)24(32)26-12-11-22-28-27-21-4-2-3-13-30(21)22/h2-10,13-14H,11-12,15H2,1H3,(H,26,32)
InChIKeyVEDDPYIEDFIWSV-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.06
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984672) has the molecular formula C24H21ClN6O and a molecular weight of 444.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
PubChem CID166984672
Molecular FormulaC24H21ClN6O
Molecular Weight444.93 g/mol
Exact Mass444.15
IUPAC Name1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCCc3nnc4ccccn34)nn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H21ClN6O/c1-16-5-10-19-20(14-16)31(15-17-6-8-18(25)9-7-17)29-23(19)24(32)26-12-11-22-28-27-21-4-2-3-13-30(21)22/h2-10,13-14H,11-12,15H2,1H3,(H,26,32)
InChIKeyVEDDPYIEDFIWSV-UHFFFAOYSA-N
XLogP4.06
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984988
4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984963
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984948
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984580
1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166985060
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide
CID 166984947
1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984673
2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
CID 134014138
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984699

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984672) is 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is Cc1ccc2c(C(=O)NCCc3nnc4ccccn34)nn(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The InChIKey is VEDDPYIEDFIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O/c1-16-5-10-19-20(14-16)31(15-17-6-8-18(25)9-7-17)29-23(19)24(32)26-12-11-22-28-27-21-4-2-3-13-30(21)22/h2-10,13-14H,11-12,15H2,1H3,(H,26,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 444.93 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).