1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

C36H28F5N5O4 — CID 158827821

IUPAC1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1
InChIInChI=1S/C18H14F3N3O2.C18H14F2N2O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3
InChIKeyIWQXIBHQYQHKSV-UHFFFAOYSA-N
MW689.64 g/mol
LogP7.37
Rot. Bonds10

About 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (PubChem CID 158827821) has the molecular formula C36H28F5N5O4 and a molecular weight of 689.64 g/mol. Its IUPAC name is 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
PubChem CID158827821
Molecular FormulaC36H28F5N5O4
Molecular Weight689.64 g/mol
Exact Mass689.21
IUPAC Name1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1
InChIInChI=1S/C18H14F3N3O2.C18H14F2N2O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3
InChIKeyIWQXIBHQYQHKSV-UHFFFAOYSA-N
XLogP7.37
TPSA117.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.64
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one with MolForge

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Related Compounds

7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296469
7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296470
7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296471
2-(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)acetamide
CID 86296849
2-[7-[[6-(Trifluoromethyl)pyridin-2-yl]methoxy]-1,5-naphthyridin-3-yl]acetamide
CID 86296851
3-[(4-Fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
CID 86301815
1-[1-[2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-phenylethanone
CID 177645553
8-Piperidin-4-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,5-naphthyridine
CID 177649581
N-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluorophenyl)-4-hydroxy-2,6-dimethylpyridine-3-carboxamide
CID 156196772
N-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methylphenyl)-4-hydroxy-2,6-dimethylpyridine-3-carboxamide
CID 156196788
N-[4-[(7-ethyl-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-hydroxy-6-methylpyridine-3-carboxamide
CID 156196861
N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluorophenyl)-4-hydroxy-2,6-dimethylpyridine-3-carboxamide
CID 156196887

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (CID 158827821) is 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is CC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1.
What is the InChIKey of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The InChIKey is IWQXIBHQYQHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2.C18H14F2N2O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3.
What are the key properties of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one has a molecular weight of 689.64 g/mol, XLogP of 7.37, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 158827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).