N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

C23H18Cl2FN3O2 — CID 135581983

About N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (PubChem CID 135581983) has the molecular formula C23H18Cl2FN3O2 and a molecular weight of 458.32 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
• PubChem CID: 135581983
• Molecular Formula: C23H18Cl2FN3O2
• Molecular Weight: 458.32 g/mol
• Exact Mass: 457.08
• IUPAC Name: N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
• SMILES: CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)[nH]nc2cc1O
• InChI: InChI=1S/C23H18Cl2FN3O2/c1-29(12-14-5-6-18(25)19(26)8-14)23(31)17-10-16-20(27-28-21(16)11-22(17)30)9-13-3-2-4-15(24)7-13/h2-8,10-11,30H,9,12H2,1H3,(H,27,28)
• InChIKey: KGQNESKVJFZJDX-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.32
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?

The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (CID 135581983) is N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.

What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?

The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)[nH]nc2cc1O.

What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?

The InChIKey is KGQNESKVJFZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O2/c1-29(12-14-5-6-18(25)19(26)8-14)23(31)17-10-16-20(27-28-21(16)11-22(17)30)9-13-3-2-4-15(24)7-13/h2-8,10-11,30H,9,12H2,1H3,(H,27,28).

What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?

N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 135581983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).