1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide

C24H20ClN5O — CID 166984544

IUPAC1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
SMILESCn1cc2ccc(CNC(=O)c3nn(Cc4ccc(Cl)cc4)c4ccccc34)cc2n1
InChIInChI=1S/C24H20ClN5O/c1-29-15-18-9-6-17(12-21(18)27-29)13-26-24(31)23-20-4-2-3-5-22(20)30(28-23)14-16-7-10-19(25)11-8-16/h2-12,15H,13-14H2,1H3,(H,26,31)
InChIKeyQYOFWNXZLFHPHD-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.55
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide (PubChem CID 166984544) has the molecular formula C24H20ClN5O and a molecular weight of 429.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
PubChem CID166984544
Molecular FormulaC24H20ClN5O
Molecular Weight429.91 g/mol
Exact Mass429.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
SMILESCn1cc2ccc(CNC(=O)c3nn(Cc4ccc(Cl)cc4)c4ccccc34)cc2n1
InChIInChI=1S/C24H20ClN5O/c1-29-15-18-9-6-17(12-21(18)27-29)13-26-24(31)23-20-4-2-3-5-22(20)30(28-23)14-16-7-10-19(25)11-8-16/h2-12,15H,13-14H2,1H3,(H,26,31)
InChIKeyQYOFWNXZLFHPHD-UHFFFAOYSA-N
XLogP4.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166985037
1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
CID 166984539
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
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-[(4-chlorophenyl)methyl]-2-methylindazol-6-amine
CID 59778810
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
5-(furan-2-yl)-N-[(2-methylindazol-6-yl)methyl]-1H-pyrazole-3-carboxamide
CID 146153677
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide (CID 166984544) is 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide is Cn1cc2ccc(CNC(=O)c3nn(Cc4ccc(Cl)cc4)c4ccccc34)cc2n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide?
The InChIKey is QYOFWNXZLFHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O/c1-29-15-18-9-6-17(12-21(18)27-29)13-26-24(31)23-20-4-2-3-5-22(20)30(28-23)14-16-7-10-19(25)11-8-16/h2-12,15H,13-14H2,1H3,(H,26,31).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 4.55, 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-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).