1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide

C22H20F3N3O4S — CID 166854591

IUPAC1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2cc(F)c3c(-c4cccc(OC(F)F)c4)nn(C4CC4)c3c2)CS(=O)(=O)C1
InChIInChI=1S/C22H20F3N3O4S/c1-22(10-33(30,31)11-22)26-20(29)13-8-16(23)18-17(9-13)28(14-5-6-14)27-19(18)12-3-2-4-15(7-12)32-21(24)25/h2-4,7-9,14,21H,5-6,10-11H2,1H3,(H,26,29)
InChIKeyMSKYKXLGWFGMBC-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.70
Rot. Bonds6

About 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide

1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide (PubChem CID 166854591) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide
PubChem CID166854591
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC Name1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2cc(F)c3c(-c4cccc(OC(F)F)c4)nn(C4CC4)c3c2)CS(=O)(=O)C1
InChIInChI=1S/C22H20F3N3O4S/c1-22(10-33(30,31)11-22)26-20(29)13-8-16(23)18-17(9-13)28(14-5-6-14)27-19(18)12-3-2-4-15(7-12)32-21(24)25/h2-4,7-9,14,21H,5-6,10-11H2,1H3,(H,26,29)
InChIKeyMSKYKXLGWFGMBC-UHFFFAOYSA-N
XLogP3.70
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide 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-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide?
The IUPAC name of 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide (CID 166854591) is 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide is CC1(NC(=O)c2cc(F)c3c(-c4cccc(OC(F)F)c4)nn(C4CC4)c3c2)CS(=O)(=O)C1.
What is the InChIKey of 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide?
The InChIKey is MSKYKXLGWFGMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-22(10-33(30,31)11-22)26-20(29)13-8-16(23)18-17(9-13)28(14-5-6-14)27-19(18)12-3-2-4-15(7-12)32-21(24)25/h2-4,7-9,14,21H,5-6,10-11H2,1H3,(H,26,29).
What are the key properties of 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide?
1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(difluoromethoxy)phenyl]-4-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)indazole-6-carboxamide is sourced from PubChem (CID 166854591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).