1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide

C21H21F2N3O3S — CID 162359601

IUPAC1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide
SMILESCc1nn(-c2cccc(OC(F)F)c2)c2ccc(C(=O)NC3(C)CCS(=O)C3)cc12
InChIInChI=1S/C21H21F2N3O3S/c1-13-17-10-14(19(27)24-21(2)8-9-30(28)12-21)6-7-18(17)26(25-13)15-4-3-5-16(11-15)29-20(22)23/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,27)
InChIKeyUVEYOCGXYBEVAY-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.58
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide

1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide (PubChem CID 162359601) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide
PubChem CID162359601
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide
SMILESCc1nn(-c2cccc(OC(F)F)c2)c2ccc(C(=O)NC3(C)CCS(=O)C3)cc12
InChIInChI=1S/C21H21F2N3O3S/c1-13-17-10-14(19(27)24-21(2)8-9-30(28)12-21)6-7-18(17)26(25-13)15-4-3-5-16(11-15)29-20(22)23/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,27)
InChIKeyUVEYOCGXYBEVAY-UHFFFAOYSA-N
XLogP3.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide
CID 162359561
1-[3-(difluoromethoxy)phenyl]-3-methylindazole-5-carbaldehyde;N,3-dimethylthiolan-3-amine;ethane
CID 162359648
1-[3-(difluoromethoxy)phenyl]-3-[(2S)-2-[(E)-2-hydroxyethenyl]pyrrolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]indazole-5-carboxamide
CID 162359478
1-[3-(difluoromethoxy)phenyl]-3-ethyl-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457159
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthiolan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 175457208
(3S)-1-[3-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-N-(3-methyloxathiolan-3-yl)-2-oxoindole-5-carboxamide
CID 175443175
3-[(2S)-butan-2-yl]-1-[3-(difluoromethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-2-oxobenzimidazole-5-carboxamide
CID 163200523
1-[3-(difluoromethoxy)phenyl]-3-(3-hydroxy-3-methylbutan-2-yl)-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457154
3-[3-(difluoromethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1-oxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359125
3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
CID 162359222
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046
1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
CID 175906946

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide (CID 162359601) is 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide is Cc1nn(-c2cccc(OC(F)F)c2)c2ccc(C(=O)NC3(C)CCS(=O)C3)cc12.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide?
The InChIKey is UVEYOCGXYBEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-13-17-10-14(19(27)24-21(2)8-9-30(28)12-21)6-7-18(17)26(25-13)15-4-3-5-16(11-15)29-20(22)23/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,27).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide?
1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide is sourced from PubChem (CID 162359601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).