1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

C140H133F18N27O6 — CID 162223051

About 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 162223051) has the molecular formula C140H133F18N27O6 and a molecular weight of 2631.75 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
• PubChem CID: 162223051
• Molecular Formula: C140H133F18N27O6
• Molecular Weight: 2631.75 g/mol
• Exact Mass: 2630.06
• IUPAC Name: 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
• SMILES: C.C.C.C.C.C.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5ncc(C(F)(F)F)cn5)cc4=O)cc31)CNCC2.O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3.O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3
• InChI: InChI=1S/C24H21F3N4O.C23H19F3N4O.2C22H18F3N5O.C22H17F3N4O.C21H16F3N5O.6CH4/c1-29-9-8-20-19(14-29)18-5-4-17(12-21(18)30(20)2)31-10-7-15(11-23(31)32)16-3-6-22(28-13-16)24(25,26)27;1-29-19-6-8-27-13-18(19)17-4-3-16(11-20(17)29)30-9-7-14(10-22(30)31)15-2-5-21(28-12-15)23(24,25)26;1-29-18-4-6-26-12-17(18)16-3-2-15(9-19(16)29)30-7-5-13(8-20(30)31)21-27-10-14(11-28-21)22(23,24)25;1-29-18-4-6-26-12-17(18)16-3-2-15(9-19(16)29)30-7-5-13(8-20(30)31)14-10-27-21(28-11-14)22(23,24)25;23-22(24,25)14-1-4-18(27-11-14)13-6-8-29(21(30)9-13)15-2-3-16-17-12-26-7-5-19(17)28-20(16)10-15;22-21(23,24)19-4-3-16(27-28-19)12-6-8-29(20(30)9-12)13-1-2-14-15-11-25-7-5-17(15)26-18(14)10-13;;;;;;/h3-7,10-13H,8-9,14H2,1-2H3;2-5,7,9-12,27H,6,8,13H2,1H3;2*2-3,5,7-11,26H,4,6,12H2,1H3;1-4,6,8-11,26,28H,5,7,12H2;1-4,6,8-10,25-26H,5,7,11H2;6*1H4
• InChIKey: ZUJTZGYVNPOMJP-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 362.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2631.75
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?

The IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 162223051) is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

What is the SMILES notation for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?

The canonical SMILES for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is C.C.C.C.C.C.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5ncc(C(F)(F)F)cn5)cc4=O)cc31)CNCC2.O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3.O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3.

What is the InChIKey of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?

The InChIKey is ZUJTZGYVNPOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O.C23H19F3N4O.2C22H18F3N5O.C22H17F3N4O.C21H16F3N5O.6CH4/c1-29-9-8-20-19(14-29)18-5-4-17(12-21(18)30(20)2)31-10-7-15(11-23(31)32)16-3-6-22(28-13-16)24(25,26)27;1-29-19-6-8-27-13-18(19)17-4-3-16(11-20(17)29)30-9-7-14(10-22(30)31)15-2-5-21(28-12-15)23(24,25)26;1-29-18-4-6-26-12-17(18)16-3-2-15(9-19(16)29)30-7-5-13(8-20(30)31)21-27-10-14(11-28-21)22(23,24)25;1-29-18-4-6-26-12-17(18)16-3-2-15(9-19(16)29)30-7-5-13(8-20(30)31)14-10-27-21(28-11-14)22(23,24)25;23-22(24,25)14-1-4-18(27-11-14)13-6-8-29(21(30)9-13)15-2-3-16-17-12-26-7-5-19(17)28-20(16)10-15;22-21(23,24)19-4-3-16(27-28-19)12-6-8-29(20(30)9-12)13-1-2-14-15-11-25-7-5-17(15)26-18(14)10-13;;;;;;/h3-7,10-13H,8-9,14H2,1-2H3;2-5,7,9-12,27H,6,8,13H2,1H3;2*2-3,5,7-11,26H,4,6,12H2,1H3;1-4,6,8-11,26,28H,5,7,12H2;1-4,6,8-10,25-26H,5,7,11H2;6*1H4.

What are the key properties of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?

1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 2631.75 g/mol, XLogP of 26.66, 12 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;methane;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 162223051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).