1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole

C20H20FN3O2S — CID 166916528

IUPAC1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H20FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-7,11-13H,8-10H2,1-2H3
InChIKeyPYPAEPWYUXDWQH-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole

1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole (PubChem CID 166916528) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
PubChem CID166916528
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H20FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-7,11-13H,8-10H2,1-2H3
InChIKeyPYPAEPWYUXDWQH-UHFFFAOYSA-N
XLogP3.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole (CID 166916528) is 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The InChIKey is PYPAEPWYUXDWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole has a molecular weight of 385.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole is sourced from PubChem (CID 166916528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).