1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide

C19H17F4N3O5S — CID 175443255

IUPAC1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide
SMILESCC1(C)C(=O)N(c2cc(OC(F)F)ncc2F)c2cc(F)c(C(=O)NS3(C)COO3)cc21
InChIInChI=1S/C19H17F4N3O5S/c1-19(2)10-4-9(16(27)25-32(3)8-29-31-32)11(20)5-13(10)26(17(19)28)14-6-15(30-18(22)23)24-7-12(14)21/h4-7,18H,8H2,1-3H3,(H,25,27)
InChIKeyISVZNJOAOQVWIY-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide

1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide (PubChem CID 175443255) has the molecular formula C19H17F4N3O5S and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide
PubChem CID175443255
Molecular FormulaC19H17F4N3O5S
Molecular Weight475.42 g/mol
Exact Mass475.08
IUPAC Name1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide
SMILESCC1(C)C(=O)N(c2cc(OC(F)F)ncc2F)c2cc(F)c(C(=O)NS3(C)COO3)cc21
InChIInChI=1S/C19H17F4N3O5S/c1-19(2)10-4-9(16(27)25-32(3)8-29-31-32)11(20)5-13(10)26(17(19)28)14-6-15(30-18(22)23)24-7-12(14)21/h4-7,18H,8H2,1-3H3,(H,25,27)
InChIKeyISVZNJOAOQVWIY-UHFFFAOYSA-N
XLogP3.83
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide (CID 175443255) is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide is CC1(C)C(=O)N(c2cc(OC(F)F)ncc2F)c2cc(F)c(C(=O)NS3(C)COO3)cc21.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide?
The InChIKey is ISVZNJOAOQVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O5S/c1-19(2)10-4-9(16(27)25-32(3)8-29-31-32)11(20)5-13(10)26(17(19)28)14-6-15(30-18(22)23)24-7-12(14)21/h4-7,18H,8H2,1-3H3,(H,25,27).
What are the key properties of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide?
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 175443255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).