5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C45H41F3N10O4 — CID 157360493

IUPAC5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(N2C(=O)C(C)(C)c3ccc(-c4cnc(C)nc4)cc32)c1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H20F3N5O2.C22H21N5O2/c1-13-28-9-16(10-29-13)14-4-5-18-19(7-14)31(21(33)22(18,2)3)17-6-15(8-27-11-17)20(32)30-12-23(24,25)26;1-13-25-10-16(11-26-13)14-5-6-18-19(8-14)27(21(29)22(18,2)3)17-7-15(9-24-12-17)20(28)23-4/h4-11H,12H2,1-3H3,(H,30,32);5-12H,1-4H3,(H,23,28)
InChIKeyBIOSYGZOWGAWPJ-UHFFFAOYSA-N
MW842.88 g/mol
LogP7.26
Rot. Bonds7

About 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 157360493) has the molecular formula C45H41F3N10O4 and a molecular weight of 842.88 g/mol. Its IUPAC name is 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID157360493
Molecular FormulaC45H41F3N10O4
Molecular Weight842.88 g/mol
Exact Mass842.33
IUPAC Name5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(N2C(=O)C(C)(C)c3ccc(-c4cnc(C)nc4)cc32)c1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H20F3N5O2.C22H21N5O2/c1-13-28-9-16(10-29-13)14-4-5-18-19(7-14)31(21(33)22(18,2)3)17-6-15(8-27-11-17)20(32)30-12-23(24,25)26;1-13-25-10-16(11-26-13)14-5-6-18-19(8-14)27(21(29)22(18,2)3)17-7-15(9-24-12-17)20(28)23-4/h4-11H,12H2,1-3H3,(H,30,32);5-12H,1-4H3,(H,23,28)
InChIKeyBIOSYGZOWGAWPJ-UHFFFAOYSA-N
XLogP7.26
TPSA176.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.88
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 157360493) is 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CNC(=O)c1cncc(N2C(=O)C(C)(C)c3ccc(-c4cnc(C)nc4)cc32)c1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1.
What is the InChIKey of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is BIOSYGZOWGAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2.C22H21N5O2/c1-13-28-9-16(10-29-13)14-4-5-18-19(7-14)31(21(33)22(18,2)3)17-6-15(8-27-11-17)20(32)30-12-23(24,25)26;1-13-25-10-16(11-26-13)14-5-6-18-19(8-14)27(21(29)22(18,2)3)17-7-15(9-24-12-17)20(28)23-4/h4-11H,12H2,1-3H3,(H,30,32);5-12H,1-4H3,(H,23,28).
What are the key properties of 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 842.88 g/mol, XLogP of 7.26, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-methylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157360493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).