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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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).