6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine

C20H14ClF3N4O2S — CID 167703375

IUPAC6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine
SMILESCc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2F)c1F
InChIInChI=1S/C20H14ClF3N4O2S/c1-9-15(6-11(21)7-26-9)31(29,30)8-10-2-5-14(22)16(17(10)23)12-3-4-13-19(18(12)24)27-28-20(13)25/h2-7H,8H2,1H3,(H3,25,27,28)
InChIKeyYSPUPNDKABIPEI-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.56
Rot. Bonds4

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

6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine (PubChem CID 167703375) has the molecular formula C20H14ClF3N4O2S and a molecular weight of 466.87 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine
PubChem CID167703375
Molecular FormulaC20H14ClF3N4O2S
Molecular Weight466.87 g/mol
Exact Mass466.05
IUPAC Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine
SMILESCc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2F)c1F
InChIInChI=1S/C20H14ClF3N4O2S/c1-9-15(6-11(21)7-26-9)31(29,30)8-10-2-5-14(22)16(17(10)23)12-3-4-13-19(18(12)24)27-28-20(13)25/h2-7H,8H2,1H3,(H3,25,27,28)
InChIKeyYSPUPNDKABIPEI-UHFFFAOYSA-N
XLogP4.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine with MolForge

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Related Compounds

US9718825, Example 555
CID 86269191
US9718825, Example 557
CID 136213459
US9718825, Example 559
CID 136213461
6-[4-[(5-chloro-2,4-difluorophenyl)sulfonylmethyl]phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 162019964
6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
CID 167539830
6-[3-[(5-chloro-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
CID 167659308
N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide
CID 167665832
5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine
CID 67490003

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine (CID 167703375) is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine is Cc1ncc(Cl)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2F)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine?
The InChIKey is YSPUPNDKABIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2S/c1-9-15(6-11(21)7-26-9)31(29,30)8-10-2-5-14(22)16(17(10)23)12-3-4-13-19(18(12)24)27-28-20(13)25/h2-7H,8H2,1H3,(H3,25,27,28).
What are the key properties of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine?
6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-amine has a molecular weight of 466.87 g/mol, XLogP of 4.56, 4 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-1H-indazol-3-amine is sourced from PubChem (CID 167703375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).