5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole

C18H10F5N3 — CID 155584256

IUPAC5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESFC(F)n1c2ccncc2c2ccc(-c3cncc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H10F5N3/c19-17(20)26-15-3-4-24-9-14(15)13-2-1-10(6-16(13)26)11-5-12(8-25-7-11)18(21,22)23/h1-9,17H
InChIKeyQWRGCWSNYYZWNE-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.67
Rot. Bonds2

About 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole

5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 155584256) has the molecular formula C18H10F5N3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID155584256
Molecular FormulaC18H10F5N3
Molecular Weight363.29 g/mol
Exact Mass363.08
IUPAC Name5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESFC(F)n1c2ccncc2c2ccc(-c3cncc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H10F5N3/c19-17(20)26-15-3-4-24-9-14(15)13-2-1-10(6-16(13)26)11-5-12(8-25-7-11)18(21,22)23/h1-9,17H
InChIKeyQWRGCWSNYYZWNE-UHFFFAOYSA-N
XLogP5.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(6-butan-2-yl-5-fluoro-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole
CID 155583987
5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole
CID 155584355
1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
CID 150729998
7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481360
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
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
5-[4-[2-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]propan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 165371437
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

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole (CID 155584256) is 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole is FC(F)n1c2ccncc2c2ccc(-c3cncc(C(F)(F)F)c3)cc21.
What is the InChIKey of 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is QWRGCWSNYYZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3/c19-17(20)26-15-3-4-24-9-14(15)13-2-1-10(6-16(13)26)11-5-12(8-25-7-11)18(21,22)23/h1-9,17H.
What are the key properties of 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole?
5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 363.29 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 155584256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).