1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide

C24H26F3N3O5S — CID 163200709

IUPAC1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OCC(F)F)c(F)cn2)CCS(=O)(=O)CC1
InChIInChI=1S/C24H26F3N3O5S/c1-23(2)15-10-14(21(31)29-24(3)6-8-36(33,34)9-7-24)4-5-17(15)30(22(23)32)20-11-18(16(25)12-28-20)35-13-19(26)27/h4-5,10-12,19H,6-9,13H2,1-3H3,(H,29,31)
InChIKeyOGSYYGRXGBXWAF-UHFFFAOYSA-N
MW525.55 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide

1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (PubChem CID 163200709) has the molecular formula C24H26F3N3O5S and a molecular weight of 525.55 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
PubChem CID163200709
Molecular FormulaC24H26F3N3O5S
Molecular Weight525.55 g/mol
Exact Mass525.15
IUPAC Name1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OCC(F)F)c(F)cn2)CCS(=O)(=O)CC1
InChIInChI=1S/C24H26F3N3O5S/c1-23(2)15-10-14(21(31)29-24(3)6-8-36(33,34)9-7-24)4-5-17(15)30(22(23)32)20-11-18(16(25)12-28-20)35-13-19(26)27/h4-5,10-12,19H,6-9,13H2,1-3H3,(H,29,31)
InChIKeyOGSYYGRXGBXWAF-UHFFFAOYSA-N
XLogP3.52
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide with MolForge

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Related Compounds

1-[5-(2,2-difluoroethoxy)pyridazin-3-yl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
CID 163200695
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
CID 175443288
1-[2-(2,2-difluoroethoxy)-5-methyl-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one
CID 164969712
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one
CID 165028398
1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone
CID 164983428
1-[3-(difluoromethoxy)phenyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolo[2,3-b]pyridine-5-carboxamide
CID 163200781
1-[2-(2,2-difluoroethoxy)pyrimidin-4-yl]-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one
CID 165028839
3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]indol-2-one
CID 164966938
1-(2-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 163242121
1'-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxamide
CID 163200744
1-[3-(2,2-difluoroethoxy)phenyl]-3-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 163200548
6-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (CID 163200709) is 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide is CC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OCC(F)F)c(F)cn2)CCS(=O)(=O)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The InChIKey is OGSYYGRXGBXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O5S/c1-23(2)15-10-14(21(31)29-24(3)6-8-36(33,34)9-7-24)4-5-17(15)30(22(23)32)20-11-18(16(25)12-28-20)35-13-19(26)27/h4-5,10-12,19H,6-9,13H2,1-3H3,(H,29,31).
What are the key properties of 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide has a molecular weight of 525.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 163200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).