4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide

C20H17Cl2N5O — CID 59292071

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCn3cccn3)nc2c1
InChIInChI=1S/C20H17Cl2N5O/c21-16-4-1-3-14(9-16)12-23-20(28)15-10-18(22)17-13-27(25-19(17)11-15)8-7-26-6-2-5-24-26/h1-6,9-11,13H,7-8,12H2,(H,23,28)
InChIKeyXKXVFJGWLDBZBS-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.17
Rot. Bonds6

About 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide

4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide (PubChem CID 59292071) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
PubChem CID59292071
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCn3cccn3)nc2c1
InChIInChI=1S/C20H17Cl2N5O/c21-16-4-1-3-14(9-16)12-23-20(28)15-10-18(22)17-13-27(25-19(17)11-15)8-7-26-6-2-5-24-26/h1-6,9-11,13H,7-8,12H2,(H,23,28)
InChIKeyXKXVFJGWLDBZBS-UHFFFAOYSA-N
XLogP4.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
N-(3-Chlorobenzyl)-2-[2-(1H-pyrazol-1-yl)ethyl]-2H-indazole-6-carboxamide
CID 24760614
N-(3-Chlorobenzyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2H-indazole-6-carboxamide
CID 24760615
4-(2-chloro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205829
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138781
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259651
6-(4-chloro-1-methylindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 117993400
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-indol-6-yl)methanone
CID 44426954
N-(3,5-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60714993
N-[1-(2,5-dichloro-4-pyridinyl)azetidin-3-yl]-2,3-dimethylindazole-6-carboxamide
CID 156010493
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299979
3-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide (CID 59292071) is 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCn3cccn3)nc2c1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The InChIKey is XKXVFJGWLDBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c21-16-4-1-3-14(9-16)12-23-20(28)15-10-18(22)17-13-27(25-19(17)11-15)8-7-26-6-2-5-24-26/h1-6,9-11,13H,7-8,12H2,(H,23,28).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 59292071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).