5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole

C43H34F5N7 — CID 155583730

IUPAC5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole
SMILESCN1CCCc2cc(-c3ccc4c5cnc(C6CCc7cc(-c8ccc9c%10cnccc%10n(C(F)F)c9c8)cnc7N6C)cc5n(C(F)F)c4c3)cc(F)c21
InChIInChI=1S/C43H34F5N7/c1-52-13-3-4-25-14-27(16-33(44)40(25)52)23-5-8-30-32-22-50-34(19-39(32)55(43(47)48)38(30)17-23)36-10-7-26-15-28(20-51-41(26)53(36)2)24-6-9-29-31-21-49-12-11-35(31)54(42(45)46)37(29)18-24/h5-6,8-9,11-12,14-22,36,42-43H,3-4,7,10,13H2,1-2H3
InChIKeyUFKYPJHKWGBXMF-UHFFFAOYSA-N
MW743.78 g/mol
LogP10.86
Rot. Bonds5

About 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole

5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole (PubChem CID 155583730) has the molecular formula C43H34F5N7 and a molecular weight of 743.78 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole
PubChem CID155583730
Molecular FormulaC43H34F5N7
Molecular Weight743.78 g/mol
Exact Mass743.28
IUPAC Name5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole
SMILESCN1CCCc2cc(-c3ccc4c5cnc(C6CCc7cc(-c8ccc9c%10cnccc%10n(C(F)F)c9c8)cnc7N6C)cc5n(C(F)F)c4c3)cc(F)c21
InChIInChI=1S/C43H34F5N7/c1-52-13-3-4-25-14-27(16-33(44)40(25)52)23-5-8-30-32-22-50-34(19-39(32)55(43(47)48)38(30)17-23)36-10-7-26-15-28(20-51-41(26)53(36)2)24-6-9-29-31-21-49-12-11-35(31)54(42(45)46)37(29)18-24/h5-6,8-9,11-12,14-22,36,42-43H,3-4,7,10,13H2,1-2H3
InChIKeyUFKYPJHKWGBXMF-UHFFFAOYSA-N
XLogP10.86
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.78
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole?
The IUPAC name of 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole (CID 155583730) is 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole is CN1CCCc2cc(-c3ccc4c5cnc(C6CCc7cc(-c8ccc9c%10cnccc%10n(C(F)F)c9c8)cnc7N6C)cc5n(C(F)F)c4c3)cc(F)c21.
What is the InChIKey of 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole?
The InChIKey is UFKYPJHKWGBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34F5N7/c1-52-13-3-4-25-14-27(16-33(44)40(25)52)23-5-8-30-32-22-50-34(19-39(32)55(43(47)48)38(30)17-23)36-10-7-26-15-28(20-51-41(26)53(36)2)24-6-9-29-31-21-49-12-11-35(31)54(42(45)46)37(29)18-24/h5-6,8-9,11-12,14-22,36,42-43H,3-4,7,10,13H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole?
5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole has a molecular weight of 743.78 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 155583730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).