5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C24H13Cl3F2N4OS — CID 135356820

About 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide

5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 135356820) has the molecular formula C24H13Cl3F2N4OS and a molecular weight of 549.82 g/mol. Its IUPAC name is 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 135356820
• Molecular Formula: C24H13Cl3F2N4OS
• Molecular Weight: 549.82 g/mol
• Exact Mass: 547.98
• IUPAC Name: 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1cnc(NC(=O)c2cc(Cl)c(-n3nc(-c4ccc(Cl)cc4F)c4cc(Cl)ccc43)cc2F)s1
• InChI: InChI=1S/C24H13Cl3F2N4OS/c1-11-10-30-24(35-11)31-23(34)15-8-17(27)21(9-19(15)29)33-20-5-3-12(25)6-16(20)22(32-33)14-4-2-13(26)7-18(14)28/h2-10H,1H3,(H,30,31,34)
• InChIKey: VPJPJRBTABGAIV-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.82
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 135356820) is 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cc(Cl)c(-n3nc(-c4ccc(Cl)cc4F)c4cc(Cl)ccc43)cc2F)s1.

What is the InChIKey of 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is VPJPJRBTABGAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3F2N4OS/c1-11-10-30-24(35-11)31-23(34)15-8-17(27)21(9-19(15)29)33-20-5-3-12(25)6-16(20)22(32-33)14-4-2-13(26)7-18(14)28/h2-10H,1H3,(H,30,31,34).

What are the key properties of 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?

5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 549.82 g/mol, XLogP of 7.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[5-chloro-3-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 135356820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).