1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide

C26H19ClN6O — CID 53240846

IUPAC1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C26H19ClN6O/c27-21-6-2-1-4-16(21)15-33-11-9-23(32-33)26(34)30-24-12-17(13-25-20(24)14-29-31-25)18-5-3-7-22-19(18)8-10-28-22/h1-14,28H,15H2,(H,29,31)(H,30,34)
InChIKeyDXFQCKYVEQGRLT-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.86
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide (PubChem CID 53240846) has the molecular formula C26H19ClN6O and a molecular weight of 466.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide
PubChem CID53240846
Molecular FormulaC26H19ClN6O
Molecular Weight466.93 g/mol
Exact Mass466.13
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C26H19ClN6O/c27-21-6-2-1-4-16(21)15-33-11-9-23(32-33)26(34)30-24-12-17(13-25-20(24)14-29-31-25)18-5-3-7-22-19(18)8-10-28-22/h1-14,28H,15H2,(H,29,31)(H,30,34)
InChIKeyDXFQCKYVEQGRLT-UHFFFAOYSA-N
XLogP5.86
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
CID 44539853
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540134
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
CID 44540326
1-ethyl-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 58356412
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44540160
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 143903858
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methoxy-4-methylbenzamide
CID 44540223
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
CID 44540319
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 44539956
formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 158088924

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide (CID 53240846) is 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is DXFQCKYVEQGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6O/c27-21-6-2-1-4-16(21)15-33-11-9-23(32-33)26(34)30-24-12-17(13-25-20(24)14-29-31-25)18-5-3-7-22-19(18)8-10-28-22/h1-14,28H,15H2,(H,29,31)(H,30,34).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 5.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 53240846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).