7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

C18H13F3N4O — CID 24731404

IUPAC7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCc2nc3cccnc3cc2C1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)16-4-3-11(9-23-16)17(26)25-7-5-13-12(10-25)8-15-14(24-13)2-1-6-22-15/h1-4,6,8-9H,5,7,10H2
InChIKeyIXEJTUNFIXJCEJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.24
Rot. Bonds1

About 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 24731404) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID24731404
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCc2nc3cccnc3cc2C1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)16-4-3-11(9-23-16)17(26)25-7-5-13-12(10-25)8-15-14(24-13)2-1-6-22-15/h1-4,6,8-9H,5,7,10H2
InChIKeyIXEJTUNFIXJCEJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 24731404) is 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCc2nc3cccnc3cc2C1.
What is the InChIKey of 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IXEJTUNFIXJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)16-4-3-11(9-23-16)17(26)25-7-5-13-12(10-25)8-15-14(24-13)2-1-6-22-15/h1-4,6,8-9H,5,7,10H2.
What are the key properties of 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 358.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridin-8-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 24731404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).