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

C26H29F2N3O5S — CID 163200689

IUPAC1-[4-[(2,2-difluorocyclopropyl)methoxy]-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(OCC3CC3(F)F)ccn2)CCS(=O)(=O)CC1
InChIInChI=1S/C26H29F2N3O5S/c1-24(2)19-12-16(22(32)30-25(3)7-10-37(34,35)11-8-25)4-5-20(19)31(23(24)33)21-13-18(6-9-29-21)36-15-17-14-26(17,27)28/h4-6,9,12-13,17H,7-8,10-11,14-15H2,1-3H3,(H,30,32)
InChIKeyMYWAXNNLNQSLGJ-UHFFFAOYSA-N
MW533.60 g/mol
LogP3.77
Rot. Bonds6

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

1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (PubChem CID 163200689) has the molecular formula C26H29F2N3O5S and a molecular weight of 533.60 g/mol. Its IUPAC name is 1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
PubChem CID163200689
Molecular FormulaC26H29F2N3O5S
Molecular Weight533.60 g/mol
Exact Mass533.18
IUPAC Name1-[4-[(2,2-difluorocyclopropyl)methoxy]-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(OCC3CC3(F)F)ccn2)CCS(=O)(=O)CC1
InChIInChI=1S/C26H29F2N3O5S/c1-24(2)19-12-16(22(32)30-25(3)7-10-37(34,35)11-8-25)4-5-20(19)31(23(24)33)21-13-18(6-9-29-21)36-15-17-14-26(17,27)28/h4-6,9,12-13,17H,7-8,10-11,14-15H2,1-3H3,(H,30,32)
InChIKeyMYWAXNNLNQSLGJ-UHFFFAOYSA-N
XLogP3.77
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-difluorocyclopropyl)methoxy]-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-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide (CID 163200689) is 1-[4-[(2,2-difluorocyclopropyl)methoxy]-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-difluorocyclopropyl)methoxy]-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-difluorocyclopropyl)methoxy]-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(OCC3CC3(F)F)ccn2)CCS(=O)(=O)CC1.
What is the InChIKey of 1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
The InChIKey is MYWAXNNLNQSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O5S/c1-24(2)19-12-16(22(32)30-25(3)7-10-37(34,35)11-8-25)4-5-20(19)31(23(24)33)21-13-18(6-9-29-21)36-15-17-14-26(17,27)28/h4-6,9,12-13,17H,7-8,10-11,14-15H2,1-3H3,(H,30,32).
What are the key properties of 1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide?
1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide has a molecular weight of 533.60 g/mol, XLogP of 3.77, 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-difluorocyclopropyl)methoxy]-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 163200689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).