6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

C25H24F3N5O3S — CID 166916291

IUPAC6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC(F)F)CC2)cn1
InChIInChI=1S/C25H24F3N5O3S/c1-2-9-31-16-21(15-29-31)37(34,35)32-10-7-17(8-11-32)22-12-18-14-30-33(20-5-3-19(26)4-6-20)23(18)13-24(22)36-25(27)28/h3-7,12-16,25H,2,8-11H2,1H3
InChIKeyLXJOWNMCFJTBJR-UHFFFAOYSA-N
MW531.56 g/mol
LogP4.85
Rot. Bonds8

About 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (PubChem CID 166916291) has the molecular formula C25H24F3N5O3S and a molecular weight of 531.56 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
PubChem CID166916291
Molecular FormulaC25H24F3N5O3S
Molecular Weight531.56 g/mol
Exact Mass531.16
IUPAC Name6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC(F)F)CC2)cn1
InChIInChI=1S/C25H24F3N5O3S/c1-2-9-31-16-21(15-29-31)37(34,35)32-10-7-17(8-11-32)22-12-18-14-30-33(20-5-3-19(26)4-6-20)23(18)13-24(22)36-25(27)28/h3-7,12-16,25H,2,8-11H2,1H3
InChIKeyLXJOWNMCFJTBJR-UHFFFAOYSA-N
XLogP4.85
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-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

Related Compounds

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide
CID 57690902
CID 395175
CID 395175
US11787780, Example 219
CID 166916668
US11787780, Example 217
CID 166916671
US11787780, Example 218
CID 166916686
US11787780, Example 160
CID 166916870
US11787780, Example 166
CID 166916890
US11787780, Example 162
CID 166916908
US11787780, Example 161
CID 166916909
US11787780, Example 243
CID 166917295
US11787780, Example 212
CID 166917316
2H-Pyrazolo(4,3-c)quinoline, 4,5-dihydro-7-methoxy-5-((4-methylphenyl)sulfonyl)-2-phenyl-
CID 13573251

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The IUPAC name of 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (CID 166916291) is 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.
What is the SMILES notation for 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The canonical SMILES for 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CC=C(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC(F)F)CC2)cn1.
What is the InChIKey of 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The InChIKey is LXJOWNMCFJTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3S/c1-2-9-31-16-21(15-29-31)37(34,35)32-10-7-17(8-11-32)22-12-18-14-30-33(20-5-3-19(26)4-6-20)23(18)13-24(22)36-25(27)28/h3-7,12-16,25H,2,8-11H2,1H3.
What are the key properties of 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole has a molecular weight of 531.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is sourced from PubChem (CID 166916291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).