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

C23H18Cl2N6O — CID 166984963

IUPAC4-chloro-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)c2cccc(Cl)c12
InChIInChI=1S/C23H18Cl2N6O/c24-16-9-7-15(8-10-16)14-31-18-5-3-4-17(25)21(18)22(29-31)23(32)26-12-11-20-28-27-19-6-1-2-13-30(19)20/h1-10,13H,11-12,14H2,(H,26,32)
InChIKeyPPRWYXDTKNFHPV-UHFFFAOYSA-N
MW465.34 g/mol
LogP4.41
Rot. Bonds6

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

4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984963) has the molecular formula C23H18Cl2N6O and a molecular weight of 465.34 g/mol. Its IUPAC name is 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
PubChem CID166984963
Molecular FormulaC23H18Cl2N6O
Molecular Weight465.34 g/mol
Exact Mass464.09
IUPAC Name4-chloro-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)c2cccc(Cl)c12
InChIInChI=1S/C23H18Cl2N6O/c24-16-9-7-15(8-10-16)14-31-18-5-3-4-17(25)21(18)22(29-31)23(32)26-12-11-20-28-27-19-6-1-2-13-30(19)20/h1-10,13H,11-12,14H2,(H,26,32)
InChIKeyPPRWYXDTKNFHPV-UHFFFAOYSA-N
XLogP4.41
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 54.41
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
1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984672
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
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-[(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
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
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
3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
CID 103803871
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984963) is 4-chloro-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 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 4-chloro-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)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
The InChIKey is PPRWYXDTKNFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O/c24-16-9-7-15(8-10-16)14-31-18-5-3-4-17(25)21(18)22(29-31)23(32)26-12-11-20-28-27-19-6-1-2-13-30(19)20/h1-10,13H,11-12,14H2,(H,26,32).
What are the key properties of 4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?
4-chloro-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 465.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-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 166984963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).