8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C17H11F3N4 — CID 155583549

IUPAC8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C17H11F3N4/c1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-8,17H,1H3
InChIKeyDMXFXQJHLZABQV-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.49
Rot. Bonds2

About 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 155583549) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID155583549
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C17H11F3N4/c1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-8,17H,1H3
InChIKeyDMXFXQJHLZABQV-UHFFFAOYSA-N
XLogP4.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 155583348
7-(6-butan-2-yl-5-fluoro-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole
CID 155583987
tert-butyl 11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 145446375
5-(difluoromethyl)-6,8-difluoro-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-4-fluoropyrido[4,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;6,8-difluoro-5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole);7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 167606628
5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole
CID 155584355
11-(5-fluoro-6-methoxy-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446284
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
6-fluoro-N,N-dimethyl-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine
CID 139367383
5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 155584256
trimethyl-[4-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-2-pyridinyl]azanium
CID 153328709
tert-butyl 11-(2-fluoro-6-nitro-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 155792282
8-hydroxy-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118518246

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 155583549) is 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F.
What is the InChIKey of 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DMXFXQJHLZABQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-8,17H,1H3.
What are the key properties of 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 328.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 155583549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).