5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one

C138H98F10N24O7 — CID 160586188

About 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one

5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one (PubChem CID 160586188) has the molecular formula C138H98F10N24O7 and a molecular weight of 2394.44 g/mol. Its IUPAC name is 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
• PubChem CID: 160586188
• Molecular Formula: C138H98F10N24O7
• Molecular Weight: 2394.44 g/mol
• Exact Mass: 2392.79
• IUPAC Name: 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
• SMILES: Cn1c2cc(-c3ccc(=O)[nH]c3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2c(F)cc(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(=O)[nH]c3)cc21.O=c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CC(F)F)c3c2)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CCF)c3c2)c[nH]1
• InChI: InChI=1S/C18H12F3N3O.C18H13F2N3O.C18H14FN3O.C17H11F2N3O.C17H12FN3O.C17H12FN3.C17H13N3O.C16H11N3O/c19-18(20,21)10-24-15-5-6-22-9-14(15)13-3-1-11(7-16(13)24)12-2-4-17(25)23-8-12;19-17(20)10-23-15-5-6-21-9-14(15)13-3-1-11(7-16(13)23)12-2-4-18(24)22-8-12;19-6-8-22-16-5-7-20-11-15(16)14-3-1-12(9-17(14)22)13-2-4-18(23)21-10-13;1-22-12-4-5-20-8-11(12)15-13(22)6-10(16(18)17(15)19)9-2-3-14(23)21-7-9;1-21-15-6-10(11-3-5-16(22)20-7-11)2-4-12(15)13-8-19-9-14(18)17(13)21;1-21-15-4-6-20-10-13(15)17-14(18)7-12(8-16(17)21)11-3-2-5-19-9-11;1-20-15-6-7-18-10-14(15)13-4-2-11(8-16(13)20)12-3-5-17(21)19-9-12;20-16-4-2-11(8-18-16)10-1-3-12-13-9-17-6-5-14(13)19-15(12)7-10/h1-9H,10H2,(H,23,25);1-9,17H,10H2,(H,22,24);1-5,7,9-11H,6,8H2,(H,21,23);2-8H,1H3,(H,21,23);2-9H,1H3,(H,20,22);2-10H,1H3;2-10H,1H3,(H,19,21);1-9,19H,(H,18,20)
• InChIKey: RCKOAWUMCCGYJI-UHFFFAOYSA-N
• XLogP: 28.09
• TPSA: 396.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.44
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one (CID 160586188) is 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one is Cn1c2cc(-c3ccc(=O)[nH]c3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2c(F)cc(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(=O)[nH]c3)cc21.O=c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CC(F)F)c3c2)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CCF)c3c2)c[nH]1.

What is the InChIKey of 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one?

The InChIKey is RCKOAWUMCCGYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O.C18H13F2N3O.C18H14FN3O.C17H11F2N3O.C17H12FN3O.C17H12FN3.C17H13N3O.C16H11N3O/c19-18(20,21)10-24-15-5-6-22-9-14(15)13-3-1-11(7-16(13)24)12-2-4-17(25)23-8-12;19-17(20)10-23-15-5-6-21-9-14(15)13-3-1-11(7-16(13)23)12-2-4-18(24)22-8-12;19-6-8-22-16-5-7-20-11-15(16)14-3-1-12(9-17(14)22)13-2-4-18(23)21-10-13;1-22-12-4-5-20-8-11(12)15-13(22)6-10(16(18)17(15)19)9-2-3-14(23)21-7-9;1-21-15-6-10(11-3-5-16(22)20-7-11)2-4-12(15)13-8-19-9-14(18)17(13)21;1-21-15-4-6-20-10-13(15)17-14(18)7-12(8-16(17)21)11-3-2-5-19-9-11;1-20-15-6-7-18-10-14(15)13-4-2-11(8-16(13)20)12-3-5-17(21)19-9-12;20-16-4-2-11(8-18-16)10-1-3-12-13-9-17-6-5-14(13)19-15(12)7-10/h1-9H,10H2,(H,23,25);1-9,17H,10H2,(H,22,24);1-5,7,9-11H,6,8H2,(H,21,23);2-8H,1H3,(H,21,23);2-9H,1H3,(H,20,22);2-10H,1H3;2-10H,1H3,(H,19,21);1-9,19H,(H,18,20).

What are the key properties of 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one?

5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one has a molecular weight of 2394.44 g/mol, XLogP of 28.09, 13 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 160586188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).