5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

C43H36N8O6 — CID 158308776

IUPAC5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)c2cncnc2n(OCc2ccccc2)c1=O.O=c1cc(Nc2ccccc2)c2cncnc2n1OCc1ccccc1
InChIInChI=1S/C23H20N4O4.C20H16N4O2/c1-2-30-23(29)19-20(26-17-11-7-4-8-12-17)18-13-24-15-25-21(18)27(22(19)28)31-14-16-9-5-3-6-10-16;25-19-11-18(23-16-9-5-2-6-10-16)17-12-21-14-22-20(17)24(19)26-13-15-7-3-1-4-8-15/h3-13,15,26H,2,14H2,1H3;1-12,14,23H,13H2
InChIKeyGNKORHDTIQOWIO-UHFFFAOYSA-N
MW760.81 g/mol
LogP6.50
Rot. Bonds12

About 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 158308776) has the molecular formula C43H36N8O6 and a molecular weight of 760.81 g/mol. Its IUPAC name is 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID158308776
Molecular FormulaC43H36N8O6
Molecular Weight760.81 g/mol
Exact Mass760.28
IUPAC Name5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)c2cncnc2n(OCc2ccccc2)c1=O.O=c1cc(Nc2ccccc2)c2cncnc2n1OCc1ccccc1
InChIInChI=1S/C23H20N4O4.C20H16N4O2/c1-2-30-23(29)19-20(26-17-11-7-4-8-12-17)18-13-24-15-25-21(18)27(22(19)28)31-14-16-9-5-3-6-10-16;25-19-11-18(23-16-9-5-2-6-10-16)17-12-21-14-22-20(17)24(19)26-13-15-7-3-1-4-8-15/h3-13,15,26H,2,14H2,1H3;1-12,14,23H,13H2
InChIKeyGNKORHDTIQOWIO-UHFFFAOYSA-N
XLogP6.50
TPSA164.38 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.81
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

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
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
ethyl 2-amino-5-[(4-methoxyphenyl)methylamino]-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663998
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(3-pyridin-3-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123646672
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
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
5-[(4-bromophenyl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;8-phenylmethoxy-5-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 159495677
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 7-oxo-4-phenyl-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123461348
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

Frequently Asked Questions

What is the IUPAC name of 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 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) is 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(Nc2ccccc2)c2cncnc2n(OCc2ccccc2)c1=O.O=c1cc(Nc2ccccc2)c2cncnc2n1OCc1ccccc1.
What is the InChIKey of 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GNKORHDTIQOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4.C20H16N4O2/c1-2-30-23(29)19-20(26-17-11-7-4-8-12-17)18-13-24-15-25-21(18)27(22(19)28)31-14-16-9-5-3-6-10-16;25-19-11-18(23-16-9-5-2-6-10-16)17-12-21-14-22-20(17)24(19)26-13-15-7-3-1-4-8-15/h3-13,15,26H,2,14H2,1H3;1-12,14,23H,13H2.
What are the key properties of 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 760.81 g/mol, XLogP of 6.50, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 158308776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).