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

C102H73F5N18O3 — CID 158843986

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

8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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 (PubChem CID 158843986) has the molecular formula C102H73F5N18O3 and a molecular weight of 1693.82 g/mol. Its IUPAC name is 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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.

Molecular Properties

• Compound Name: 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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
• PubChem CID: 158843986
• Molecular Formula: C102H73F5N18O3
• Molecular Weight: 1693.82 g/mol
• Exact Mass: 1692.60
• IUPAC Name: 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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
• SMILES: Cn1c2ccncc2c2c(F)c(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2c(F)cc(-c3cccnc3)cc21.Cn1c2ccncc2c2cc(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(=O)[nH]c3)cc21.O=c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CCF)c3c2)c[nH]1
• InChI: InChI=1S/C18H14FN3O.C17H11F2N3.2C17H12FN3.C17H13N3O.C16H11N3O/c19-6-8-22-16-5-7-20-11-15(16)14-3-1-12(9-17(14)22)13-2-4-18(23)21-10-13;1-22-13-4-6-21-9-12(13)15-14(22)7-11(16(18)17(15)19)10-3-2-5-20-8-10;1-21-16-4-6-20-10-14(16)13-7-15(18)12(8-17(13)21)11-3-2-5-19-9-11;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/h1-5,7,9-11H,6,8H2,(H,21,23);2-9H,1H3;2*2-10H,1H3;2-10H,1H3,(H,19,21);1-9,19H,(H,18,20)
• InChIKey: IYPCIVWJPCKHFP-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 255.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.82
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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 (CID 158843986) is 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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.

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

The canonical SMILES for 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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 is Cn1c2ccncc2c2c(F)c(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2c(F)cc(-c3cccnc3)cc21.Cn1c2ccncc2c2cc(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(=O)[nH]c3)cc21.O=c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)c[nH]1.O=c1ccc(-c2ccc3c4cnccc4n(CCF)c3c2)c[nH]1.

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

The InChIKey is IYPCIVWJPCKHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O.C17H11F2N3.2C17H12FN3.C17H13N3O.C16H11N3O/c19-6-8-22-16-5-7-20-11-15(16)14-3-1-12(9-17(14)22)13-2-4-18(23)21-10-13;1-22-13-4-6-21-9-12(13)15-14(22)7-11(16(18)17(15)19)10-3-2-5-20-8-10;1-21-16-4-6-20-10-14(16)13-7-15(18)12(8-17(13)21)11-3-2-5-19-9-11;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/h1-5,7,9-11H,6,8H2,(H,21,23);2-9H,1H3;2*2-10H,1H3;2-10H,1H3,(H,19,21);1-9,19H,(H,18,20).

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

8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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 has a molecular weight of 1693.82 g/mol, XLogP of 21.59, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;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 is sourced from PubChem (CID 158843986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).