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

C23H17F2N5O3 — CID 155343702

IUPAC7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc4nncn4c3)cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C23H17F2N5O3/c1-32-17-6-4-16(5-7-17)30-22-14(3-9-21(27-22)33-12-19(24)25)10-18(23(30)31)15-2-8-20-28-26-13-29(20)11-15/h2-11,13,19H,12H2,1H3
InChIKeyVCYZZAZKYJNIFA-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.75
Rot. Bonds6

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

7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one (PubChem CID 155343702) has the molecular formula C23H17F2N5O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one
PubChem CID155343702
Molecular FormulaC23H17F2N5O3
Molecular Weight449.42 g/mol
Exact Mass449.13
IUPAC Name7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc4nncn4c3)cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C23H17F2N5O3/c1-32-17-6-4-16(5-7-17)30-22-14(3-9-21(27-22)33-12-19(24)25)10-18(23(30)31)15-2-8-20-28-26-13-29(20)11-15/h2-11,13,19H,12H2,1H3
InChIKeyVCYZZAZKYJNIFA-UHFFFAOYSA-N
XLogP3.75
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one with MolForge

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Related Compounds

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
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
3-[4-amino-3-(methyliminomethyl)phenyl]-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one;ethane
CID 155732497
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
7-ethoxy-3-(2-methylindazol-5-yl)-1-(4-methylphenyl)-1,8-naphthyridin-2-one
CID 164841224
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 156805271
3-[4-amino-3-(methyliminomethyl)phenyl]-1-(4-chlorophenyl)-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-2-one
CID 155347783
7-[4-amino-3-(methyliminomethyl)phenyl]-5-[4-[bis(sulfanyl)methoxy]phenyl]-3-(2,2-difluoroethoxy)pyrido[2,3-b]pyrazin-6-one
CID 155732321

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 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) is 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one is COc1ccc(-n2c(=O)c(-c3ccc4nncn4c3)cc3ccc(OCC(F)F)nc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one?
The InChIKey is VCYZZAZKYJNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3/c1-32-17-6-4-16(5-7-17)30-22-14(3-9-21(27-22)33-12-19(24)25)10-18(23(30)31)15-2-8-20-28-26-13-29(20)11-15/h2-11,13,19H,12H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one?
7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one has a molecular weight of 449.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155343702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).