5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole

C119H82F9N21O4 — CID 159864558

About 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole

5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole (PubChem CID 159864558) has the molecular formula C119H82F9N21O4 and a molecular weight of 2041.09 g/mol. Its IUPAC name is 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
• PubChem CID: 159864558
• Molecular Formula: C119H82F9N21O4
• Molecular Weight: 2041.09 g/mol
• Exact Mass: 2039.67
• IUPAC Name: 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
• SMILES: Cn1c2cc(-c3ccc(=O)[nH]c3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2c(F)cc(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2cc(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.FCCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
• InChI: InChI=1S/C18H13F2N3.C17H11F2N3O.3C17H12FN3O.C17H12FN3.C16H10FN3/c19-6-8-23-16-5-7-21-11-15(16)14-3-1-12(9-17(14)23)13-2-4-18(20)22-10-13;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;1-21-15-4-5-19-9-13(15)12-6-14(18)11(7-16(12)21)10-2-3-17(22)20-8-10;1-21-14-4-5-19-9-12(14)17-13(18)6-11(7-15(17)21)10-2-3-16(22)20-8-10;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-5,7,9-11H,6,8H2;2-8H,1H3,(H,21,23);3*2-9H,1H3,(H,20,22);2-10H,1H3;1-9,20H
• InChIKey: NROKKCBVVOFTRP-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 305.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.09
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?

The IUPAC name of 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole (CID 159864558) is 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?

The canonical SMILES for 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole is Cn1c2cc(-c3ccc(=O)[nH]c3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2c(F)cc(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2cc(F)c(-c3ccc(=O)[nH]c3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.FCCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.

What is the InChIKey of 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?

The InChIKey is NROKKCBVVOFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3.C17H11F2N3O.3C17H12FN3O.C17H12FN3.C16H10FN3/c19-6-8-23-16-5-7-21-11-15(16)14-3-1-12(9-17(14)23)13-2-4-18(20)22-10-13;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;1-21-15-4-5-19-9-13(15)12-6-14(18)11(7-16(12)21)10-2-3-17(22)20-8-10;1-21-14-4-5-19-9-12(14)17-13(18)6-11(7-15(17)21)10-2-3-16(22)20-8-10;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-5,7,9-11H,6,8H2;2-8H,1H3,(H,21,23);3*2-9H,1H3,(H,20,22);2-10H,1H3;1-9,20H.

What are the key properties of 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?

5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole has a molecular weight of 2041.09 g/mol, XLogP of 25.23, 9 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 159864558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).