1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide

C24H25F2N3O3S — CID 162359561

IUPAC1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)c(C2CCOCC2)nn3-c2cccc(OC(F)F)c2)CSC1
InChIInChI=1S/C24H25F2N3O3S/c1-24(13-33-14-24)27-22(30)16-5-6-20-19(11-16)21(15-7-9-31-10-8-15)28-29(20)17-3-2-4-18(12-17)32-23(25)26/h2-6,11-12,15,23H,7-10,13-14H2,1H3,(H,27,30)
InChIKeyXSFYPOZUWVXWBN-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.76
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide

1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide (PubChem CID 162359561) has the molecular formula C24H25F2N3O3S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide
PubChem CID162359561
Molecular FormulaC24H25F2N3O3S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)c(C2CCOCC2)nn3-c2cccc(OC(F)F)c2)CSC1
InChIInChI=1S/C24H25F2N3O3S/c1-24(13-33-14-24)27-22(30)16-5-6-20-19(11-16)21(15-7-9-31-10-8-15)28-29(20)17-3-2-4-18(12-17)32-23(25)26/h2-6,11-12,15,23H,7-10,13-14H2,1H3,(H,27,30)
InChIKeyXSFYPOZUWVXWBN-UHFFFAOYSA-N
XLogP4.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide
CID 162359601
1-[3-(difluoromethoxy)phenyl]-N-(1,1-dihydroxy-3-methylthietan-3-yl)-3-(oxan-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 174231260
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-methylindazole-5-carbaldehyde;N,3-dimethylthiolan-3-amine;ethane
CID 162359648
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthiolan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 175457208
1-[3-(difluoromethoxy)phenyl]-3-ethyl-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457159
1-[3-(difluoromethoxy)phenyl]-3-(3-hydroxy-3-methylbutan-2-yl)-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457154
1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
CID 175906946
(3S)-1-[3-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-N-(3-methyloxathiolan-3-yl)-2-oxoindole-5-carboxamide
CID 175443175
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methylthietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162358879
6-[3-(difluoromethoxy)benzenecarboximidoyl]-5-(oxan-4-ylmethylamino)pyridine-3-carbaldehyde;N,3-dimethylthietan-3-amine
CID 162359349
4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine
CID 126763938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide (CID 162359561) is 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide is CC1(NC(=O)c2ccc3c(c2)c(C2CCOCC2)nn3-c2cccc(OC(F)F)c2)CSC1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide?
The InChIKey is XSFYPOZUWVXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3S/c1-24(13-33-14-24)27-22(30)16-5-6-20-19(11-16)21(15-7-9-31-10-8-15)28-29(20)17-3-2-4-18(12-17)32-23(25)26/h2-6,11-12,15,23H,7-10,13-14H2,1H3,(H,27,30).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide?
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide is sourced from PubChem (CID 162359561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).