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

C23H25F2N3O5S — CID 163200692

IUPAC1-[4-(difluoromethoxy)-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(OC(F)F)ccn2)CCS(=O)(=O)CC1
InChIInChI=1S/C23H25F2N3O5S/c1-22(2)16-12-14(19(29)27-23(3)7-10-34(31,32)11-8-23)4-5-17(16)28(20(22)30)18-13-15(6-9-26-18)33-21(24)25/h4-6,9,12-13,21H,7-8,10-11H2,1-3H3,(H,27,29)
InChIKeyFTPKCKIESHXDFV-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.34
Rot. Bonds5

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

1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (PubChem CID 163200692) has the molecular formula C23H25F2N3O5S and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
PubChem CID163200692
Molecular FormulaC23H25F2N3O5S
Molecular Weight493.53 g/mol
Exact Mass493.15
IUPAC Name1-[4-(difluoromethoxy)-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(OC(F)F)ccn2)CCS(=O)(=O)CC1
InChIInChI=1S/C23H25F2N3O5S/c1-22(2)16-12-14(19(29)27-23(3)7-10-34(31,32)11-8-23)4-5-17(16)28(20(22)30)18-13-15(6-9-26-18)33-21(24)25/h4-6,9,12-13,21H,7-8,10-11H2,1-3H3,(H,27,29)
InChIKeyFTPKCKIESHXDFV-UHFFFAOYSA-N
XLogP3.34
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(difluoromethoxy)-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

WO2022076495, Example 119
CID 163200609
WO2022076495, Example 120
CID 163200610
WO2022076495, Example 121
CID 163200611
WO2022076496, Example 31
CID 163200653
WO2022076496, Example 34
CID 163200656
WO2022076496, Example 62
CID 163200684
WO2022076496, Example 63
CID 163200685
WO2022076496, Example 64
CID 163200686
WO2022076496, Example 65
CID 163200687
WO2022076496, Example 66
CID 163200688
WO2022076496, Example 67
CID 163200689
WO2022076496, Example 68
CID 163200690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (CID 163200692) is 1-[4-(difluoromethoxy)-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-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)-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(OC(F)F)ccn2)CCS(=O)(=O)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The InChIKey is FTPKCKIESHXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O5S/c1-22(2)16-12-14(19(29)27-23(3)7-10-34(31,32)11-8-23)4-5-17(16)28(20(22)30)18-13-15(6-9-26-18)33-21(24)25/h4-6,9,12-13,21H,7-8,10-11H2,1-3H3,(H,27,29).
What are the key properties of 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 163200692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).