ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one

C84H75F5N14O18S — CID 160780162

IUPACethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
SMILESCCOC(=O)c1c(NCc2ccccc2F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(O)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.Cc1ncnc2c1c(NCc1ccccc1F)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C25H23FN4O4.C22H19FN4O2.C19H16F3N3O7S.C18H17N3O5/c1-3-33-25(32)21-22(27-13-18-11-7-8-12-19(18)26)20-16(2)28-15-29-23(20)30(24(21)31)34-14-17-9-5-4-6-10-17;1-15-21-19(24-12-17-9-5-6-10-18(17)23)11-20(28)27(22(21)26-14-25-15)29-13-16-7-3-2-4-8-16;1-3-30-18(27)14-15(32-33(28,29)19(20,21)22)13-11(2)23-10-24-16(13)25(17(14)26)31-9-12-7-5-4-6-8-12;1-3-25-18(24)14-15(22)13-11(2)19-10-20-16(13)21(17(14)23)26-9-12-7-5-4-6-8-12/h4-12,15,27H,3,13-14H2,1-2H3;2-11,14,24H,12-13H2,1H3;4-8,10H,3,9H2,1-2H3;4-8,10,22H,3,9H2,1-2H3
InChIKeySALWMAZAQVNEGU-UHFFFAOYSA-N
MW1695.66 g/mol
LogP10.88
Rot. Bonds26

About ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one

ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 160780162) has the molecular formula C84H75F5N14O18S and a molecular weight of 1695.66 g/mol. Its IUPAC name is ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Nameethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
PubChem CID160780162
Molecular FormulaC84H75F5N14O18S
Molecular Weight1695.66 g/mol
Exact Mass1694.50
IUPAC Nameethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
SMILESCCOC(=O)c1c(NCc2ccccc2F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(O)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.Cc1ncnc2c1c(NCc1ccccc1F)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C25H23FN4O4.C22H19FN4O2.C19H16F3N3O7S.C18H17N3O5/c1-3-33-25(32)21-22(27-13-18-11-7-8-12-19(18)26)20-16(2)28-15-29-23(20)30(24(21)31)34-14-17-9-5-4-6-10-17;1-15-21-19(24-12-17-9-5-6-10-18(17)23)11-20(28)27(22(21)26-14-25-15)29-13-16-7-3-2-4-8-16;1-3-30-18(27)14-15(32-33(28,29)19(20,21)22)13-11(2)23-10-24-16(13)25(17(14)26)31-9-12-7-5-4-6-8-12;1-3-25-18(24)14-15(22)13-11(2)19-10-20-16(13)21(17(14)23)26-9-12-7-5-4-6-8-12/h4-12,15,27H,3,13-14H2,1-2H3;2-11,14,24H,12-13H2,1H3;4-8,10H,3,9H2,1-2H3;4-8,10,22H,3,9H2,1-2H3
InChIKeySALWMAZAQVNEGU-UHFFFAOYSA-N
XLogP10.88
TPSA394.60 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.66
LogP ≤ 510.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-5-[(2-methylphenyl)methylamino]-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;4-methyl-8-phenylmethoxy-5-[[2-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 160968510
ethyl 7-oxo-4-phenyl-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123461348
ethyl 5-[(4-chlorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123252740
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663987
5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 159102710
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
ethyl 2-oxo-1-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-1,8-naphthyridine-3-carboxylate
CID 86639640
ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123210340
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(3-pyridin-3-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123646672
5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158308776
ethyl 5-(2,3-dihydro-1H-inden-1-ylamino)-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 162219016
5-[(4-acetamidophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 150571263

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one (CID 160780162) is ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one is CCOC(=O)c1c(NCc2ccccc2F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(O)c2c(C)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2c(C)ncnc2n(OCc2ccccc2)c1=O.Cc1ncnc2c1c(NCc1ccccc1F)cc(=O)n2OCc1ccccc1.
What is the InChIKey of ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SALWMAZAQVNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4.C22H19FN4O2.C19H16F3N3O7S.C18H17N3O5/c1-3-33-25(32)21-22(27-13-18-11-7-8-12-19(18)26)20-16(2)28-15-29-23(20)30(24(21)31)34-14-17-9-5-4-6-10-17;1-15-21-19(24-12-17-9-5-6-10-18(17)23)11-20(28)27(22(21)26-14-25-15)29-13-16-7-3-2-4-8-16;1-3-30-18(27)14-15(32-33(28,29)19(20,21)22)13-11(2)23-10-24-16(13)25(17(14)26)31-9-12-7-5-4-6-8-12;1-3-25-18(24)14-15(22)13-11(2)19-10-20-16(13)21(17(14)23)26-9-12-7-5-4-6-8-12/h4-12,15,27H,3,13-14H2,1-2H3;2-11,14,24H,12-13H2,1H3;4-8,10H,3,9H2,1-2H3;4-8,10,22H,3,9H2,1-2H3.
What are the key properties of ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1695.66 g/mol, XLogP of 10.88, 26 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).