1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole

C25H25FN4O2S — CID 166917230

IUPAC1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2cccnc2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C25H25FN4O2S/c1-18-12-24-20(16-28-30(24)22-7-5-21(26)6-8-22)13-23(18)25(14-19-4-3-10-27-15-19)9-11-29(17-25)33(2,31)32/h3-8,10,12-13,15-16H,9,11,14,17H2,1-2H3
InChIKeyWJMRKSGNVJCDKL-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole (PubChem CID 166917230) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole
PubChem CID166917230
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2cccnc2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C25H25FN4O2S/c1-18-12-24-20(16-28-30(24)22-7-5-21(26)6-8-22)13-23(18)25(14-19-4-3-10-27-15-19)9-11-29(17-25)33(2,31)32/h3-8,10,12-13,15-16H,9,11,14,17H2,1-2H3
InChIKeyWJMRKSGNVJCDKL-UHFFFAOYSA-N
XLogP4.01
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole 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

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46831701
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 46832237
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole (CID 166917230) is 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2cccnc2)CCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole?
The InChIKey is WJMRKSGNVJCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-18-12-24-20(16-28-30(24)22-7-5-21(26)6-8-22)13-23(18)25(14-19-4-3-10-27-15-19)9-11-29(17-25)33(2,31)32/h3-8,10,12-13,15-16H,9,11,14,17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole has a molecular weight of 464.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-3-ylmethyl)pyrrolidin-3-yl]indazole is sourced from PubChem (CID 166917230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).