2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol

C19H19F2N3O3S — CID 163233994

IUPAC2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3
InChIKeyCZFDDEMFEQQPNC-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.15
Rot. Bonds3

About 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol (PubChem CID 163233994) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
PubChem CID163233994
Molecular FormulaC19H19F2N3O3S
Molecular Weight407.44 g/mol
Exact Mass407.11
IUPAC Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3
InChIKeyCZFDDEMFEQQPNC-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397
US11787780, Example 160
CID 166916870
1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888393
1H-Indazol-4-ol, 1-phenyl-5-(phenylmethyl)-
CID 135705548
N-(2-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163233801
5-(5-(3,5-Dimethyl-1H-pyrazol-4-yl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233829
2,3-Difluoro-5-(5-(6-methylpyridin-3-yl)-1H-indazol-1-yl)phenol
CID 163233832
1-(3,4-Difluoro-5-hydroxyphenyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazole-6-carbonitrile
CID 163233844
2-Fluoro-5-(6-fluoro-3-methyl-5-(7-(methylsulfonyl)-4,7-diazaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)phenol
CID 163233853
4-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-N-methyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 163233863
2-Fluoro-5-(5-(4-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163233868

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol (CID 163233994) is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol is CS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The InChIKey is CZFDDEMFEQQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol has a molecular weight of 407.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163233994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).