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

C52H51ClF6N12O6 — CID 158651730

About 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

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 (PubChem CID 158651730) has the molecular formula C52H51ClF6N12O6 and a molecular weight of 1089.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158651730
• Molecular Formula: C52H51ClF6N12O6
• Molecular Weight: 1089.50 g/mol
• Exact Mass: 1088.36
• IUPAC Name: 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
• SMILES: CNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1cc2c(cn1)NC(=O)C2
• InChI: InChI=1S/C27H26F3N5O3.C18H18ClF3N4O2.C7H7N3O/c1-31-26(37)21-13-19(35-6-8-38-9-7-35)4-5-23(21)34-24-14-25(32-15-22(24)27(28,29)30)33-18-3-2-16-11-20(36)12-17(16)10-18;1-23-17(27)12-8-11(26-4-6-28-7-5-26)2-3-14(12)25-15-9-16(19)24-10-13(15)18(20,21)22;8-6-1-4-2-7(11)10-5(4)3-9-6/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,31,37)(H2,32,33,34);2-3,8-10H,4-7H2,1H3,(H,23,27)(H,24,25);1,3H,2H2,(H2,8,9)(H,10,11)
• InChIKey: IBQGLRIVQDWETP-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 230.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1089.50
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1cc2c(cn1)NC(=O)C2.

What is the InChIKey of 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?

The InChIKey is IBQGLRIVQDWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O3.C18H18ClF3N4O2.C7H7N3O/c1-31-26(37)21-13-19(35-6-8-38-9-7-35)4-5-23(21)34-24-14-25(32-15-22(24)27(28,29)30)33-18-3-2-16-11-20(36)12-17(16)10-18;1-23-17(27)12-8-11(26-4-6-28-7-5-26)2-3-14(12)25-15-9-16(19)24-10-13(15)18(20,21)22;8-6-1-4-2-7(11)10-5(4)3-9-6/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,31,37)(H2,32,33,34);2-3,8-10H,4-7H2,1H3,(H,23,27)(H,24,25);1,3H,2H2,(H2,8,9)(H,10,11).

What are the key properties of 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?

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 has a molecular weight of 1089.50 g/mol, XLogP of 8.30, 10 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158651730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).