5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide

C45H44ClF6N11O6S2 — CID 157203606

IUPAC5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
SMILESCN(c1ncccc1CNc1cc(Cl)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H22F3N5O3S.C14H14ClF3N4O2S.C8H8N2O/c1-31(35(2,33)34)22-15(4-3-7-27-22)12-28-20-11-21(29-13-19(20)23(24,25)26)30-17-6-5-14-9-18(32)10-16(14)8-17;1-22(25(2,23)24)13-9(4-3-5-19-13)7-20-11-6-12(15)21-8-10(11)14(16,17)18;9-6-1-2-7-5(3-6)4-8(11)10-7/h3-8,11,13H,9-10,12H2,1-2H3,(H2,28,29,30);3-6,8H,7H2,1-2H3,(H,20,21);1-3H,4,9H2,(H,10,11)
InChIKeyARBYFOZEFVXZIG-UHFFFAOYSA-N
MW1048.49 g/mol
LogP7.83
Rot. Bonds12

About 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide

5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide (PubChem CID 157203606) has the molecular formula C45H44ClF6N11O6S2 and a molecular weight of 1048.49 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
PubChem CID157203606
Molecular FormulaC45H44ClF6N11O6S2
Molecular Weight1048.49 g/mol
Exact Mass1047.25
IUPAC Name5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
SMILESCN(c1ncccc1CNc1cc(Cl)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H22F3N5O3S.C14H14ClF3N4O2S.C8H8N2O/c1-31(35(2,33)34)22-15(4-3-7-27-22)12-28-20-11-21(29-13-19(20)23(24,25)26)30-17-6-5-14-9-18(32)10-16(14)8-17;1-22(25(2,23)24)13-9(4-3-5-19-13)7-20-11-6-12(15)21-8-10(11)14(16,17)18;9-6-1-2-7-5(3-6)4-8(11)10-7/h3-8,11,13H,9-10,12H2,1-2H3,(H2,28,29,30);3-6,8H,7H2,1-2H3,(H,20,21);1-3H,4,9H2,(H,10,11)
InChIKeyARBYFOZEFVXZIG-UHFFFAOYSA-N
XLogP7.83
TPSA234.60 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.49
LogP ≤ 57.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide;N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157080428
5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157226376
5-amino-1,3-dihydroindol-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-4-carboxamide;N-methyl-3-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-4-carboxamide
CID 157621929
5-Amino-1,3-dihydroindol-2-one;1-[2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;5-[[4-[2-(2-oxopropyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
CID 157867697
5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157870760
5-amino-1,3-dihydroindol-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyrazine-2-carboxamide;N-methyl-3-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrazine-2-carboxamide
CID 157914222
5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyrimidine-5-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 158165320
5-amino-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide;N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 158651730
5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158696731
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 159298884
5-amino-1,3-dihydroindol-2-one;2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;bis(5-[[4-(2-pyrimidin-2-ylanilino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one)
CID 159886238
5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 159977967

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide (CID 157203606) is 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide is CN(c1ncccc1CNc1cc(Cl)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is ARBYFOZEFVXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3S.C14H14ClF3N4O2S.C8H8N2O/c1-31(35(2,33)34)22-15(4-3-7-27-22)12-28-20-11-21(29-13-19(20)23(24,25)26)30-17-6-5-14-9-18(32)10-16(14)8-17;1-22(25(2,23)24)13-9(4-3-5-19-13)7-20-11-6-12(15)21-8-10(11)14(16,17)18;9-6-1-2-7-5(3-6)4-8(11)10-7/h3-8,11,13H,9-10,12H2,1-2H3,(H2,28,29,30);3-6,8H,7H2,1-2H3,(H,20,21);1-3H,4,9H2,(H,10,11).
What are the key properties of 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide?
5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 1048.49 g/mol, XLogP of 7.83, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 157203606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).