1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one

C22H13ClF3N5O2 — CID 155347920

IUPAC1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccc3nncn3c2)cc2ccc(OCC(F)(F)F)nc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13ClF3N5O2/c23-15-3-5-16(6-4-15)31-20-13(2-8-19(28-20)33-11-22(24,25)26)9-17(21(31)32)14-1-7-18-29-27-12-30(18)10-14/h1-10,12H,11H2
InChIKeyJDDRGUDDWIPLLC-UHFFFAOYSA-N
MW471.83 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one

1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one (PubChem CID 155347920) has the molecular formula C22H13ClF3N5O2 and a molecular weight of 471.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one
PubChem CID155347920
Molecular FormulaC22H13ClF3N5O2
Molecular Weight471.83 g/mol
Exact Mass471.07
IUPAC Name1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccc3nncn3c2)cc2ccc(OCC(F)(F)F)nc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13ClF3N5O2/c23-15-3-5-16(6-4-15)31-20-13(2-8-19(28-20)33-11-22(24,25)26)9-17(21(31)32)14-1-7-18-29-27-12-30(18)10-14/h1-10,12H,11H2
InChIKeyJDDRGUDDWIPLLC-UHFFFAOYSA-N
XLogP4.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.83
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one
CID 155343702
3-[4-amino-3-(methyliminomethyl)phenyl]-1-(4-chlorophenyl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one
CID 155347783
3-[4-amino-3-(methyliminomethyl)phenyl]-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one;ethane
CID 155732497
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 155343700
8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347843
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
7-ethoxy-3-(2-methylindazol-5-yl)-1-(4-methylphenyl)-1,8-naphthyridin-2-one
CID 164841224
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
1-(4-chlorophenyl)-3-(2,3-dimethylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-1,8-naphthyridin-2-one
CID 166988263
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one (CID 155347920) is 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one is O=c1c(-c2ccc3nncn3c2)cc2ccc(OCC(F)(F)F)nc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one?
The InChIKey is JDDRGUDDWIPLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N5O2/c23-15-3-5-16(6-4-15)31-20-13(2-8-19(28-20)33-11-22(24,25)26)9-17(21(31)32)14-1-7-18-29-27-12-30(18)10-14/h1-10,12H,11H2.
What are the key properties of 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one?
1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one has a molecular weight of 471.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).