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

C23H24F3N3O4 — CID 175443288

IUPAC1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OC(F)F)ncc2F)CCOCC1
InChIInChI=1S/C23H24F3N3O4/c1-22(2)14-10-13(19(30)28-23(3)6-8-32-9-7-23)4-5-16(14)29(20(22)31)17-11-18(33-21(25)26)27-12-15(17)24/h4-5,10-12,21H,6-9H2,1-3H3,(H,28,30)
InChIKeyRYGKOZFWRDTFBH-UHFFFAOYSA-N
MW463.46 g/mol
LogP4.08
Rot. Bonds5

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

1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide (PubChem CID 175443288) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
PubChem CID175443288
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OC(F)F)ncc2F)CCOCC1
InChIInChI=1S/C23H24F3N3O4/c1-22(2)14-10-13(19(30)28-23(3)6-8-32-9-7-23)4-5-16(14)29(20(22)31)17-11-18(33-21(25)26)27-12-15(17)24/h4-5,10-12,21H,6-9H2,1-3H3,(H,28,30)
InChIKeyRYGKOZFWRDTFBH-UHFFFAOYSA-N
XLogP4.08
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-N-(1,1-dihydroxy-3-methylthietan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 174231243
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-6-fluoro-3,3-dimethyl-N-(3-methyldioxathietan-3-yl)-2-oxoindole-5-carboxamide
CID 175443255
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
1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
CID 175443202
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-ethoxy-5-fluoro-4-pyridinyl)-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 163242121
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-[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'-[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
1'-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxamide
CID 163200744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide (CID 175443288) is 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide is CC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(OC(F)F)ncc2F)CCOCC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The InChIKey is RYGKOZFWRDTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-22(2)14-10-13(19(30)28-23(3)6-8-32-9-7-23)4-5-16(14)29(20(22)31)17-11-18(33-21(25)26)27-12-15(17)24/h4-5,10-12,21H,6-9H2,1-3H3,(H,28,30).
What are the key properties of 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 175443288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).