1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

C23H20ClN3O2 — CID 53007563

IUPAC1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-21-4-2-3-17(11-21)13-25-23(28)18-7-8-19-14-26-27(22(19)12-18)15-16-5-9-20(24)10-6-16/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyGPUDOMUZWMXESC-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.68
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 53007563) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID53007563
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-21-4-2-3-17(11-21)13-25-23(28)18-7-8-19-14-26-27(22(19)12-18)15-16-5-9-20(24)10-6-16/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyGPUDOMUZWMXESC-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 53007563) is 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is COc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is GPUDOMUZWMXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-29-21-4-2-3-17(11-21)13-25-23(28)18-7-8-19-14-26-27(22(19)12-18)15-16-5-9-20(24)10-6-16/h2-12,14H,13,15H2,1H3,(H,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53007563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).