1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole

C23H24FN5O2S — CID 163454585

IUPAC1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C23H24FN5O2S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)32(30,31)21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3
InChIKeyBJIYJAJGHXTPRO-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole (PubChem CID 163454585) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
PubChem CID163454585
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C23H24FN5O2S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)32(30,31)21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3
InChIKeyBJIYJAJGHXTPRO-UHFFFAOYSA-N
XLogP3.65
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
CID 155529416
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 155557330
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-1-methyl-3-quinolin-3-ylindazol-5-amine
CID 145971892
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine
CID 155561078
US11787780, Example 117
CID 163429989
US11787780, Example 15
CID 163475853
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 40
CID 163652456

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole (CID 163454585) is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The InChIKey is BJIYJAJGHXTPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)32(30,31)21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole has a molecular weight of 453.54 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole is sourced from PubChem (CID 163454585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).