5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

C28H28FN7O3S — CID 166916244

IUPAC5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccc(F)cc2)CCN(S(=O)(=O)c2cnn(C)n2)C1
InChIInChI=1S/C28H28FN7O3S/c1-19-12-25-21(15-31-36(25)23-8-9-27(37)33(2)17-23)13-24(19)28(14-20-4-6-22(29)7-5-20)10-11-35(18-28)40(38,39)26-16-30-34(3)32-26/h4-9,12-13,15-17H,10-11,14,18H2,1-3H3
InChIKeyHYBCRZFQNLTZLC-UHFFFAOYSA-N
MW561.64 g/mol
LogP2.88
Rot. Bonds6

About 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (PubChem CID 166916244) has the molecular formula C28H28FN7O3S and a molecular weight of 561.64 g/mol. Its IUPAC name is 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
PubChem CID166916244
Molecular FormulaC28H28FN7O3S
Molecular Weight561.64 g/mol
Exact Mass561.20
IUPAC Name5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccc(F)cc2)CCN(S(=O)(=O)c2cnn(C)n2)C1
InChIInChI=1S/C28H28FN7O3S/c1-19-12-25-21(15-31-36(25)23-8-9-27(37)33(2)17-23)13-24(19)28(14-20-4-6-22(29)7-5-20)10-11-35(18-28)40(38,39)26-16-30-34(3)32-26/h4-9,12-13,15-17H,10-11,14,18H2,1-3H3
InChIKeyHYBCRZFQNLTZLC-UHFFFAOYSA-N
XLogP2.88
TPSA107.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 271
CID 164013268
US11787780, Example 178
CID 164049209
US11787780, Example 176
CID 164136295
US11787780, Example 151
CID 166916229
US11787780, Example 153
CID 166916234
US11787780, Example 325
CID 166916245
US11787780, Example 152
CID 166916274
US11787780, Example 323
CID 166916294
US11787780, Example 328
CID 166916304

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (CID 166916244) is 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is Cc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccc(F)cc2)CCN(S(=O)(=O)c2cnn(C)n2)C1.
What is the InChIKey of 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is HYBCRZFQNLTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O3S/c1-19-12-25-21(15-31-36(25)23-8-9-27(37)33(2)17-23)13-24(19)28(14-20-4-6-22(29)7-5-20)10-11-35(18-28)40(38,39)26-16-30-34(3)32-26/h4-9,12-13,15-17H,10-11,14,18H2,1-3H3.
What are the key properties of 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 561.64 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4-fluorophenyl)methyl]-1-(2-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 166916244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).