ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

C53H49F2N5O9 — CID 157278996

IUPACethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C27H26FN3O4.C26H23FN2O5/c1-3-11-29-26(33)23-25(32)24-21(31(2)27(23)34)13-18(15-30-24)12-19-9-10-20(28)14-22(19)35-16-17-7-5-4-6-8-17;1-3-33-26(32)22-24(30)23-20(29(2)25(22)31)12-17(14-28-23)11-18-9-10-19(27)13-21(18)34-15-16-7-5-4-6-8-16/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H,29,33);4-10,12-14,30H,3,11,15H2,1-2H3
InChIKeyAZLBRMCZYZZOAZ-UHFFFAOYSA-N
MW938.00 g/mol
LogP8.21
Rot. Bonds15

About ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (PubChem CID 157278996) has the molecular formula C53H49F2N5O9 and a molecular weight of 938.00 g/mol. Its IUPAC name is ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Nameethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
PubChem CID157278996
Molecular FormulaC53H49F2N5O9
Molecular Weight938.00 g/mol
Exact Mass937.35
IUPAC Nameethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C27H26FN3O4.C26H23FN2O5/c1-3-11-29-26(33)23-25(32)24-21(31(2)27(23)34)13-18(15-30-24)12-19-9-10-20(28)14-22(19)35-16-17-7-5-4-6-8-17;1-3-33-26(32)22-24(30)23-20(29(2)25(22)31)12-17(14-28-23)11-18-9-10-19(27)13-21(18)34-15-16-7-5-4-6-8-16/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H,29,33);4-10,12-14,30H,3,11,15H2,1-2H3
InChIKeyAZLBRMCZYZZOAZ-UHFFFAOYSA-N
XLogP8.21
TPSA184.10 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.00
LogP ≤ 58.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (CID 157278996) is ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The InChIKey is AZLBRMCZYZZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4.C26H23FN2O5/c1-3-11-29-26(33)23-25(32)24-21(31(2)27(23)34)13-18(15-30-24)12-19-9-10-20(28)14-22(19)35-16-17-7-5-4-6-8-17;1-3-33-26(32)22-24(30)23-20(29(2)25(22)31)12-17(14-28-23)11-18-9-10-19(27)13-21(18)34-15-16-7-5-4-6-8-16/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H,29,33);4-10,12-14,30H,3,11,15H2,1-2H3.
What are the key properties of ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide has a molecular weight of 938.00 g/mol, XLogP of 8.21, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 157278996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).