methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate

C43H30F8N4O6 — CID 160920822

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C25H18F4N2O3.C18H12F4N2O3/c1-33-24(32)21-22(34-14-16-5-3-2-4-6-16)20-19(23(31-21)25(27,28)29)12-17(13-30-20)11-15-7-9-18(26)10-8-15;1-27-17(26)14-15(25)13-12(16(24-14)18(20,21)22)7-10(8-23-13)6-9-2-4-11(19)5-3-9/h2-10,12-13H,11,14H2,1H3;2-5,7-8,25H,6H2,1H3
InChIKeySRZSMGNXJYJGCD-UHFFFAOYSA-N
MW850.72 g/mol
LogP9.61
Rot. Bonds9

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate (PubChem CID 160920822) has the molecular formula C43H30F8N4O6 and a molecular weight of 850.72 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate
PubChem CID160920822
Molecular FormulaC43H30F8N4O6
Molecular Weight850.72 g/mol
Exact Mass850.20
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C25H18F4N2O3.C18H12F4N2O3/c1-33-24(32)21-22(34-14-16-5-3-2-4-6-16)20-19(23(31-21)25(27,28)29)12-17(13-30-20)11-15-7-9-18(26)10-8-15;1-27-17(26)14-15(25)13-12(16(24-14)18(20,21)22)7-10(8-23-13)6-9-2-4-11(19)5-3-9/h2-10,12-13H,11,14H2,1H3;2-5,7-8,25H,6H2,1H3
InChIKeySRZSMGNXJYJGCD-UHFFFAOYSA-N
XLogP9.61
TPSA133.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.72
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate with MolForge

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Related Compounds

1-Methoxypropan-2-yl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 9976415
(1-Acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10093767
3-(4-Fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid methyl ester
CID 10335671
5-Amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149767
3-[(4-Fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149768
3-[(4-Fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid
CID 23149769
8-Benzyloxy-3-(4-fluorobenzyl)-5-iodo[1,6]naphthyridine-7-carboxylic acid
CID 23149774
5-Acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149776
3-[(4-Fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid
CID 23149777
3-[(4-Fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 23149778
3-[(4-Fluorophenyl)methyl]-7-(2-methoxyethylcarbamoyl)-8-phenylmethoxy-1,6-naphthyridine-5-carboxylic acid
CID 23149781
3-[(4-Fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149785

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate (CID 160920822) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate is COC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1nc(C(F)(F)F)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate?
The InChIKey is SRZSMGNXJYJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O3.C18H12F4N2O3/c1-33-24(32)21-22(34-14-16-5-3-2-4-6-16)20-19(23(31-21)25(27,28)29)12-17(13-30-20)11-15-7-9-18(26)10-8-15;1-27-17(26)14-15(25)13-12(16(24-14)18(20,21)22)7-10(8-23-13)6-9-2-4-11(19)5-3-9/h2-10,12-13H,11,14H2,1H3;2-5,7-8,25H,6H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate has a molecular weight of 850.72 g/mol, XLogP of 9.61, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-5-(trifluoromethyl)-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 160920822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).