2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol

C145H150F19N21O11 — CID 157139943

About 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol

2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol (PubChem CID 157139943) has the molecular formula C145H150F19N21O11 and a molecular weight of 2723.89 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol.

Molecular Properties

• Compound Name: 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol
• PubChem CID: 157139943
• Molecular Formula: C145H150F19N21O11
• Molecular Weight: 2723.89 g/mol
• Exact Mass: 2722.15
• IUPAC Name: 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol
• SMILES: C.C.C.C.C.CC1=C(C(F)(F)F)c2cc(-c3cc(N)cc(-c4ncccc4CO)c3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)n3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(N4CCOCC4=O)n3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4CO)n3)cnc2C1.CC1=C(CCF)c2cc(-c3cccc(N4CCOCC4=O)c3)cnc2C1.CCC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4=O)c3)cnc2C1
• InChI: InChI=1S/C22H18F3N3O.C21H19F3N2O2.C21H21FN2O2.C20H20F3N3O2.C19H17F3N4O2.C19H18F3N3O.C18H17F3N4O.5CH4/c1-12-5-19-18(20(12)22(23,24)25)9-16(10-28-19)14-6-15(8-17(26)7-14)21-13(11-29)3-2-4-27-21;1-2-13-10-18-17(20(13)21(22,23)24)9-15(11-25-18)14-4-3-5-16(8-14)26-6-7-28-12-19(26)27;1-14-9-20-19(18(14)5-6-22)11-16(12-23-20)15-3-2-4-17(10-15)24-7-8-26-13-21(24)25;1-12-7-17-15(19(12)20(21,22)23)8-13(9-24-17)16-3-2-4-18(25-16)26-5-6-28-11-14(26)10-27;1-10-6-15-12(17(10)19(20,21)22)7-11(8-24-15)14-3-2-13(23)18(25-14)26-4-5-28-9-16(26)27;1-10-6-16-14(17(10)19(20,21)22)8-12(9-24-16)11-4-5-15(23)13(7-11)18(26)25(2)3;1-9-6-14-11(15(9)18(19,20)21)7-10(8-23-14)13-5-4-12(22)16(24-13)17(26)25(2)3;;;;;/h2-4,6-10,29H,5,11,26H2,1H3;3-5,8-9,11H,2,6-7,10,12H2,1H3;2-4,10-12H,5-9,13H2,1H3;2-4,8-9,14,27H,5-7,10-11H2,1H3;2-3,7-8H,4-6,9,23H2,1H3;4-5,7-9H,6,23H2,1-3H3;4-5,7-8H,6,22H2,1-3H3;5*1H4
• InChIKey: AKBQTKIAIZLZOY-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 428.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2723.89
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol?

The IUPAC name of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol (CID 157139943) is 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol.

What is the SMILES notation for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol?

The canonical SMILES for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol is C.C.C.C.C.CC1=C(C(F)(F)F)c2cc(-c3cc(N)cc(-c4ncccc4CO)c3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)n3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(N4CCOCC4=O)n3)cnc2C1.CC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4CO)n3)cnc2C1.CC1=C(CCF)c2cc(-c3cccc(N4CCOCC4=O)c3)cnc2C1.CCC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4=O)c3)cnc2C1.

What is the InChIKey of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol?

The InChIKey is AKBQTKIAIZLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O.C21H19F3N2O2.C21H21FN2O2.C20H20F3N3O2.C19H17F3N4O2.C19H18F3N3O.C18H17F3N4O.5CH4/c1-12-5-19-18(20(12)22(23,24)25)9-16(10-28-19)14-6-15(8-17(26)7-14)21-13(11-29)3-2-4-27-21;1-2-13-10-18-17(20(13)21(22,23)24)9-15(11-25-18)14-4-3-5-16(8-14)26-6-7-28-12-19(26)27;1-14-9-20-19(18(14)5-6-22)11-16(12-23-20)15-3-2-4-17(10-15)24-7-8-26-13-21(24)25;1-12-7-17-15(19(12)20(21,22)23)8-13(9-24-17)16-3-2-4-18(25-16)26-5-6-28-11-14(26)10-27;1-10-6-15-12(17(10)19(20,21)22)7-11(8-24-15)14-3-2-13(23)18(25-14)26-4-5-28-9-16(26)27;1-10-6-16-14(17(10)19(20,21)22)8-12(9-24-16)11-4-5-15(23)13(7-11)18(26)25(2)3;1-9-6-14-11(15(9)18(19,20)21)7-10(8-23-14)13-5-4-12(22)16(24-13)17(26)25(2)3;;;;;/h2-4,6-10,29H,5,11,26H2,1H3;3-5,8-9,11H,2,6-7,10,12H2,1H3;2-4,10-12H,5-9,13H2,1H3;2-4,8-9,14,27H,5-7,10-11H2,1H3;2-3,7-8H,4-6,9,23H2,1H3;4-5,7-9H,6,23H2,1-3H3;4-5,7-8H,6,22H2,1-3H3;5*1H4.

What are the key properties of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol?

2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol has a molecular weight of 2723.89 g/mol, XLogP of 29.61, 19 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol is sourced from PubChem (CID 157139943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).