6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole

C22H14ClF3N6O2S — CID 167702475

About 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole

6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (PubChem CID 167702475) has the molecular formula C22H14ClF3N6O2S and a molecular weight of 518.91 g/mol. Its IUPAC name is 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.

Molecular Properties

• Compound Name: 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
• PubChem CID: 167702475
• Molecular Formula: C22H14ClF3N6O2S
• Molecular Weight: 518.91 g/mol
• Exact Mass: 518.05
• IUPAC Name: 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
• SMILES: Cc1ncc(Cl)cc1S(=O)(=O)Cc1ncc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C22H14ClF3N6O2S/c1-10-16(6-11(23)7-29-10)35(33,34)9-15-19(26)17(14(24)8-30-15)12-2-3-13-20(18(12)25)31-32-21(13)22-27-4-5-28-22/h2-8H,9H2,1H3,(H,27,28)(H,31,32)
• InChIKey: YPIUVCJOAQEYQM-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.91
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?

The IUPAC name of 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (CID 167702475) is 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.

What is the SMILES notation for 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?

The canonical SMILES for 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is Cc1ncc(Cl)cc1S(=O)(=O)Cc1ncc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?

The InChIKey is YPIUVCJOAQEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N6O2S/c1-10-16(6-11(23)7-29-10)35(33,34)9-15-19(26)17(14(24)8-30-15)12-2-3-13-20(18(12)25)31-32-21(13)22-27-4-5-28-22/h2-8H,9H2,1H3,(H,27,28)(H,31,32).

What are the key properties of 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?

6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole has a molecular weight of 518.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is sourced from PubChem (CID 167702475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).