1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide

C22H19ClN4O2 — CID 166984539

IUPAC1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1=O
InChIInChI=1S/C22H19ClN4O2/c1-26-11-10-16(12-20(26)28)13-24-22(29)21-18-4-2-3-5-19(18)27(25-21)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,29)
InChIKeyZQDOTLJUHZHEHY-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.37
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide (PubChem CID 166984539) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
PubChem CID166984539
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1=O
InChIInChI=1S/C22H19ClN4O2/c1-26-11-10-16(12-20(26)28)13-24-22(29)21-18-4-2-3-5-19(18)27(25-21)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,29)
InChIKeyZQDOTLJUHZHEHY-UHFFFAOYSA-N
XLogP3.37
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
CID 166984544
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166985037
1-[(4-chlorophenyl)methyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)indazole-3-carboxamide
CID 166984538
1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
CID 166984837
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984699
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984672
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide (CID 166984539) is 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide is Cn1ccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide?
The InChIKey is ZQDOTLJUHZHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-26-11-10-16(12-20(26)28)13-24-22(29)21-18-4-2-3-5-19(18)27(25-21)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).