1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one

C18H14F3N3O2 — CID 170198590

IUPAC1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one
SMILESO=C1c2ccncc2N=C2C1CCCN2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-12-5-3-11(4-6-12)24-9-1-2-14-16(25)13-7-8-22-10-15(13)23-17(14)24/h3-8,10,14H,1-2,9H2
InChIKeyUGWXFJUFJUFPIO-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.12
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one

1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one (PubChem CID 170198590) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one
PubChem CID170198590
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one
SMILESO=C1c2ccncc2N=C2C1CCCN2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-12-5-3-11(4-6-12)24-9-1-2-14-16(25)13-7-8-22-10-15(13)23-17(14)24/h3-8,10,14H,1-2,9H2
InChIKeyUGWXFJUFJUFPIO-UHFFFAOYSA-N
XLogP4.12
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-pyridin-3-ylsulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577912
(2R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxylic acid
CID 118058322
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
9-hydroxy-5-methyl-12-[4-(trifluoromethoxy)phenyl]-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 155783990
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
2-bromo-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134400456
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
N-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557401
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one (CID 170198590) is 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one is O=C1c2ccncc2N=C2C1CCCN2c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one?
The InChIKey is UGWXFJUFJUFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)26-12-5-3-11(4-6-12)24-9-1-2-14-16(25)13-7-8-22-10-15(13)23-17(14)24/h3-8,10,14H,1-2,9H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one?
1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one has a molecular weight of 361.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-2,3,4,4a-tetrahydropyrido[2,3-b][1,7]naphthyridin-5-one is sourced from PubChem (CID 170198590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).