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

C48H39BrN8O4 — CID 159495677

IUPAC5-[(4-bromophenyl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;8-phenylmethoxy-5-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(NCc2ccc(-c3ccccc3)cc2)c2cncnc2n1OCc1ccccc1.O=c1cc(NCc2ccc(Br)cc2)c2cncnc2n1OCc1ccccc1
InChIInChI=1S/C27H22N4O2.C21H17BrN4O2/c32-26-15-25(29-16-20-11-13-23(14-12-20)22-9-5-2-6-10-22)24-17-28-19-30-27(24)31(26)33-18-21-7-3-1-4-8-21;22-17-8-6-15(7-9-17)11-24-19-10-20(27)26(21-18(19)12-23-14-25-21)28-13-16-4-2-1-3-5-16/h1-15,17,19,29H,16,18H2;1-10,12,14,24H,11,13H2
InChIKeyLYTDGWSIWXYNKX-UHFFFAOYSA-N
MW871.80 g/mol
LogP8.49
Rot. Bonds13

About 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

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 (PubChem CID 159495677) has the molecular formula C48H39BrN8O4 and a molecular weight of 871.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(4-bromophenyl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;8-phenylmethoxy-5-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159495677
Molecular FormulaC48H39BrN8O4
Molecular Weight871.80 g/mol
Exact Mass870.23
IUPAC Name5-[(4-bromophenyl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;8-phenylmethoxy-5-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(NCc2ccc(-c3ccccc3)cc2)c2cncnc2n1OCc1ccccc1.O=c1cc(NCc2ccc(Br)cc2)c2cncnc2n1OCc1ccccc1
InChIInChI=1S/C27H22N4O2.C21H17BrN4O2/c32-26-15-25(29-16-20-11-13-23(14-12-20)22-9-5-2-6-10-22)24-17-28-19-30-27(24)31(26)33-18-21-7-3-1-4-8-21;22-17-8-6-15(7-9-17)11-24-19-10-20(27)26(21-18(19)12-23-14-25-21)28-13-16-4-2-1-3-5-16/h1-15,17,19,29H,16,18H2;1-10,12,14,24H,11,13H2
InChIKeyLYTDGWSIWXYNKX-UHFFFAOYSA-N
XLogP8.49
TPSA138.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.80
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
4-(benzylamino)-1-phenylmethoxypyrimido[4,5-d]pyrimidin-2-one;4-chloro-1-phenylmethoxypyrimido[4,5-d]pyrimidin-2-one;1-phenylmethoxypyrimido[4,5-d]pyrimidine-2,4-dione
CID 159181841
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
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine
CID 86614306
2-[5-(benzylamino)-6-oxo-3-phenylpyridazin-1-yl]acetic acid
CID 10854253
3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10091097
4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine
CID 166359740
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-ethylaniline
CID 126122856
N-benzyl-5-phenylpyridin-2-amine
CID 24949412

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1cc(NCc2ccc(-c3ccccc3)cc2)c2cncnc2n1OCc1ccccc1.O=c1cc(NCc2ccc(Br)cc2)c2cncnc2n1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is LYTDGWSIWXYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2.C21H17BrN4O2/c32-26-15-25(29-16-20-11-13-23(14-12-20)22-9-5-2-6-10-22)24-17-28-19-30-27(24)31(26)33-18-21-7-3-1-4-8-21;22-17-8-6-15(7-9-17)11-24-19-10-20(27)26(21-18(19)12-23-14-25-21)28-13-16-4-2-1-3-5-16/h1-15,17,19,29H,16,18H2;1-10,12,14,24H,11,13H2.
What are the key properties of 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?
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 has a molecular weight of 871.80 g/mol, XLogP of 8.49, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159495677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).