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

C40H33ClF6N14O4 — CID 158165320

About 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

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 (PubChem CID 158165320) has the molecular formula C40H33ClF6N14O4 and a molecular weight of 923.24 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158165320
• Molecular Formula: C40H33ClF6N14O4
• Molecular Weight: 923.24 g/mol
• Exact Mass: 922.24
• IUPAC Name: 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
• SMILES: CNC(=O)c1cncnc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C20H16F3N7O2.C12H9ClF3N5O.C8H8N2O/c1-24-19(32)12-7-25-9-27-18(12)30-15-6-16(26-8-13(15)20(21,22)23)28-11-3-2-10-4-17(31)29-14(10)5-11;1-17-11(22)6-3-18-5-20-10(6)21-8-2-9(13)19-4-7(8)12(14,15)16;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-3,5-9H,4H2,1H3,(H,24,32)(H,29,31)(H2,25,26,27,28,30);2-5H,1H3,(H,17,22)(H,18,19,20,21);1-3H,4,9H2,(H,10,11)
• InChIKey: FWTPNRJOWDLWOK-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 255.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	923.24
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)c1cncnc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 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?

The InChIKey is FWTPNRJOWDLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2.C12H9ClF3N5O.C8H8N2O/c1-24-19(32)12-7-25-9-27-18(12)30-15-6-16(26-8-13(15)20(21,22)23)28-11-3-2-10-4-17(31)29-14(10)5-11;1-17-11(22)6-3-18-5-20-10(6)21-8-2-9(13)19-4-7(8)12(14,15)16;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-3,5-9H,4H2,1H3,(H,24,32)(H,29,31)(H2,25,26,27,28,30);2-5H,1H3,(H,17,22)(H,18,19,20,21);1-3H,4,9H2,(H,10,11).

What are the key properties of 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?

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 has a molecular weight of 923.24 g/mol, XLogP of 6.64, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158165320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).