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

C23H15ClF3N5O2S — CID 167539830

IUPAC6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
SMILESCc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C23H15ClF3N5O2S/c1-11-17(8-13(24)9-30-11)35(33,34)10-12-2-5-16(25)18(19(12)26)14-3-4-15-21(20(14)27)31-32-22(15)23-28-6-7-29-23/h2-9H,10H2,1H3,(H,28,29)(H,31,32)
InChIKeyBANROQJMWJFETD-UHFFFAOYSA-N
MW517.92 g/mol
LogP5.37
Rot. Bonds5

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

6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (PubChem CID 167539830) has the molecular formula C23H15ClF3N5O2S and a molecular weight of 517.92 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
PubChem CID167539830
Molecular FormulaC23H15ClF3N5O2S
Molecular Weight517.92 g/mol
Exact Mass517.06
IUPAC Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
SMILESCc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C23H15ClF3N5O2S/c1-11-17(8-13(24)9-30-11)35(33,34)10-12-2-5-16(25)18(19(12)26)14-3-4-15-21(20(14)27)31-32-22(15)23-28-6-7-29-23/h2-9H,10H2,1H3,(H,28,29)(H,31,32)
InChIKeyBANROQJMWJFETD-UHFFFAOYSA-N
XLogP5.37
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.92
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (CID 167539830) is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.
What is the SMILES notation for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The canonical SMILES for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is Cc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The InChIKey is BANROQJMWJFETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2S/c1-11-17(8-13(24)9-30-11)35(33,34)10-12-2-5-16(25)18(19(12)26)14-3-4-15-21(20(14)27)31-32-22(15)23-28-6-7-29-23/h2-9H,10H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole has a molecular weight of 517.92 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is sourced from PubChem (CID 167539830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).