1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C70H66F3N15O6 — CID 129104306

IUPAC1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N(C)C)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N4CCC4)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H23N5O2.C23H20F3N5O2.C23H23N5O2/c1-15-26-12-18(13-27-15)16-5-6-20-21(10-16)29(23(31)24(20,2)3)19-9-17(11-25-14-19)22(30)28-7-4-8-28;1-13-28-9-16(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;1-14-25-11-17(12-26-14)15-6-7-19-20(9-15)28(22(30)23(19,2)3)18-8-16(10-24-13-18)21(29)27(4)5/h5-6,9-14H,4,7-8H2,1-3H3;4-11H,12H2,1-3H3,(H,30,32);6-13H,1-5H3
InChIKeyZPLVBJSBTQJETM-UHFFFAOYSA-N
MW1270.39 g/mol
LogP11.25
Rot. Bonds10

About 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 129104306) has the molecular formula C70H66F3N15O6 and a molecular weight of 1270.39 g/mol. Its IUPAC name is 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 Name1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID129104306
Molecular FormulaC70H66F3N15O6
Molecular Weight1270.39 g/mol
Exact Mass1269.53
IUPAC Name1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N(C)C)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N4CCC4)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H23N5O2.C23H20F3N5O2.C23H23N5O2/c1-15-26-12-18(13-27-15)16-5-6-20-21(10-16)29(23(31)24(20,2)3)19-9-17(11-25-14-19)22(30)28-7-4-8-28;1-13-28-9-16(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;1-14-25-11-17(12-26-14)15-6-7-19-20(9-15)28(22(30)23(19,2)3)18-8-16(10-24-13-18)21(29)27(4)5/h5-6,9-14H,4,7-8H2,1-3H3;4-11H,12H2,1-3H3,(H,30,32);6-13H,1-5H3
InChIKeyZPLVBJSBTQJETM-UHFFFAOYSA-N
XLogP11.25
TPSA246.66 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.39
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 129104306) is 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N(C)C)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)N4CCC4)c2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(C(=O)NCC(F)(F)F)c2)C(=O)C3(C)C)cn1.
What is the InChIKey of 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 ZPLVBJSBTQJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C23H20F3N5O2.C23H23N5O2/c1-15-26-12-18(13-27-15)16-5-6-20-21(10-16)29(23(31)24(20,2)3)19-9-17(11-25-14-19)22(30)28-7-4-8-28;1-13-28-9-16(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;1-14-25-11-17(12-26-14)15-6-7-19-20(9-15)28(22(30)23(19,2)3)18-8-16(10-24-13-18)21(29)27(4)5/h5-6,9-14H,4,7-8H2,1-3H3;4-11H,12H2,1-3H3,(H,30,32);6-13H,1-5H3.
What are the key properties of 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 1270.39 g/mol, XLogP of 11.25, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-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 129104306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).