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

C121H86F9N21 — CID 160943092

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

5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (PubChem CID 160943092) has the molecular formula C121H86F9N21 and a molecular weight of 2005.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
• PubChem CID: 160943092
• Molecular Formula: C121H86F9N21
• Molecular Weight: 2005.15 g/mol
• Exact Mass: 2003.72
• IUPAC Name: 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
• SMILES: Cn1c2cc(-c3cccnc3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FC(F)(F)Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FC(F)Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FCCn1c2ccncc2c2ccc(-c3cccnc3)cc21.c1cncc(-c2ccc3c(c2)[nH]c2ccncc23)c1
• InChI: InChI=1S/C18H12F3N3.C18H13F2N3.C18H14FN3.C17H11F2N3.C17H12FN3.C17H13N3.C16H11N3/c19-18(20,21)11-24-16-5-7-23-10-15(16)14-4-3-12(8-17(14)24)13-2-1-6-22-9-13;19-18(20)11-23-16-5-7-22-10-15(16)14-4-3-12(8-17(14)23)13-2-1-6-21-9-13;19-6-9-22-17-5-8-21-12-16(17)15-4-3-13(10-18(15)22)14-2-1-7-20-11-14;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;1-21-16-7-11(12-3-2-6-19-8-12)4-5-13(16)14-9-20-10-15(18)17(14)21;1-20-16-6-8-19-11-15(16)14-5-4-12(9-17(14)20)13-3-2-7-18-10-13;1-2-12(9-17-6-1)11-3-4-13-14-10-18-7-5-15(14)19-16(13)8-11/h1-10H,11H2;1-10,18H,11H2;1-5,7-8,10-12H,6,9H2;2-9H,1H3;2-10H,1H3;2-11H,1H3;1-10,19H
• InChIKey: SUTNAXOHGWMXFE-UHFFFAOYSA-N
• XLogP: 29.11
• TPSA: 225.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.15
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (CID 160943092) is 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.

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

The canonical SMILES for 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is Cn1c2cc(-c3cccnc3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2c(F)c(F)c(-c3cccnc3)cc21.Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FC(F)(F)Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FC(F)Cn1c2ccncc2c2ccc(-c3cccnc3)cc21.FCCn1c2ccncc2c2ccc(-c3cccnc3)cc21.c1cncc(-c2ccc3c(c2)[nH]c2ccncc23)c1.

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

The InChIKey is SUTNAXOHGWMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3.C18H13F2N3.C18H14FN3.C17H11F2N3.C17H12FN3.C17H13N3.C16H11N3/c19-18(20,21)11-24-16-5-7-23-10-15(16)14-4-3-12(8-17(14)24)13-2-1-6-22-9-13;19-18(20)11-23-16-5-7-22-10-15(16)14-4-3-12(8-17(14)23)13-2-1-6-21-9-13;19-6-9-22-17-5-8-21-12-16(17)15-4-3-13(10-18(15)22)14-2-1-7-20-11-14;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;1-21-16-7-11(12-3-2-6-19-8-12)4-5-13(16)14-9-20-10-15(18)17(14)21;1-20-16-6-8-19-11-15(16)14-5-4-12(9-17(14)20)13-3-2-7-18-10-13;1-2-12(9-17-6-1)11-3-4-13-14-10-18-7-5-15(14)19-16(13)8-11/h1-10H,11H2;1-10,18H,11H2;1-5,7-8,10-12H,6,9H2;2-9H,1H3;2-10H,1H3;2-11H,1H3;1-10,19H.

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

5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole has a molecular weight of 2005.15 g/mol, XLogP of 29.11, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-difluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;8,9-difluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(2-fluoroethyl)-7-pyridin-3-ylpyrido[4,3-b]indole;4-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;7-pyridin-3-yl-5H-pyrido[4,3-b]indole;7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is sourced from PubChem (CID 160943092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).