1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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

C₁₃₅H₁₁₁F₁₈N₂₇O₈ — CID 157460563

About 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 157460563) has the molecular formula C₁₃₅H₁₁₁F₁₈N₂₇O₈ and a molecular weight of 2581.52 g/mol. Its IUPAC name is 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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: 157460563
• Molecular Formula: C₁₃₅H₁₁₁F₁₈N₂₇O₈
• Molecular Weight: 2581.52 g/mol
• Exact Mass: 2579.88
• IUPAC Name: 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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: 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.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)cn5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)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/2C24H21F3N4O2.2C22H18F3N5O.C22H17F3N4O.C21H16F3N5O/c1-30-20-6-8-28-13-19(20)18-4-3-16(10-21(18)30)31-9-7-17(11-23(31)32)33-14-15-2-5-22(29-12-15)24(25,26)27;1-30-21-6-8-28-13-20(21)19-5-4-17(10-22(19)30)31-9-7-18(11-23(31)32)33-14-16-3-2-15(12-29-16)24(25,26)27;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/h2*2-5,7,9-12,28H,6,8,13-14H2,1H3;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
• InChIKey: BTWJYAOLVIPOEI-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 389.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.52
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 157460563) is 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 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.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)cn5)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 BTWJYAOLVIPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21F3N4O2.2C22H18F3N5O.C22H17F3N4O.C21H16F3N5O/c1-30-20-6-8-28-13-19(20)18-4-3-16(10-21(18)30)31-9-7-17(11-23(31)32)33-14-15-2-5-22(29-12-15)24(25,26)27;1-30-21-6-8-28-13-20(21)19-5-4-17(10-22(19)30)31-9-7-18(11-23(31)32)33-14-16-3-2-15(12-29-16)24(25,26)27;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/h2*2-5,7,9-12,28H,6,8,13-14H2,1H3;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.

What are the key properties of 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 2581.52 g/mol, XLogP of 22.32, 16 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]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 157460563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157460563 — identifiers, structure, computed properties (public domain)

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