7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione

C39H33N5O8 — CID 163049572

IUPAC7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)[nH]c(=O)c3ccc(-c4c(O)c(C)c(O)c5c4OC4=Cc6c(c(C)nn6-c6ccccc6)C(=O)C45C)nc32)cc1OC
InChIInChI=1S/C39H33N5O8/c1-19-32(45)30(24-13-12-23-36(40-24)43(38(49)41-37(23)48)16-15-21-11-14-26(50-4)27(17-21)51-5)34-31(33(19)46)39(3)28(52-34)18-25-29(35(39)47)20(2)42-44(25)22-9-7-6-8-10-22/h6-14,17-18,45-46H,15-16H2,1-5H3,(H,41,48,49)
InChIKeyBSDZFCCFAQIDLV-UHFFFAOYSA-N
MW699.72 g/mol
LogP5.11
Rot. Bonds7

About 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione

7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 163049572) has the molecular formula C39H33N5O8 and a molecular weight of 699.72 g/mol. Its IUPAC name is 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID163049572
Molecular FormulaC39H33N5O8
Molecular Weight699.72 g/mol
Exact Mass699.23
IUPAC Name7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)[nH]c(=O)c3ccc(-c4c(O)c(C)c(O)c5c4OC4=Cc6c(c(C)nn6-c6ccccc6)C(=O)C45C)nc32)cc1OC
InChIInChI=1S/C39H33N5O8/c1-19-32(45)30(24-13-12-23-36(40-24)43(38(49)41-37(23)48)16-15-21-11-14-26(50-4)27(17-21)51-5)34-31(33(19)46)39(3)28(52-34)18-25-29(35(39)47)20(2)42-44(25)22-9-7-6-8-10-22/h6-14,17-18,45-46H,15-16H2,1-5H3,(H,41,48,49)
InChIKeyBSDZFCCFAQIDLV-UHFFFAOYSA-N
XLogP5.11
TPSA170.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.72
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 163059609
7-[5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-4-oxo-[1]benzofuro[3,2-f]indazol-8-yl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 162968278
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
(2E)-6-acetyl-2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
CID 110207391
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1311695
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638894
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 135900847
6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4886894
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
CID 2962325
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 1322607
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
CID 177159194

Frequently Asked Questions

What is the IUPAC name of 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 163049572) is 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)[nH]c(=O)c3ccc(-c4c(O)c(C)c(O)c5c4OC4=Cc6c(c(C)nn6-c6ccccc6)C(=O)C45C)nc32)cc1OC.
What is the InChIKey of 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BSDZFCCFAQIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N5O8/c1-19-32(45)30(24-13-12-23-36(40-24)43(38(49)41-37(23)48)16-15-21-11-14-26(50-4)27(17-21)51-5)34-31(33(19)46)39(3)28(52-34)18-25-29(35(39)47)20(2)42-44(25)22-9-7-6-8-10-22/h6-14,17-18,45-46H,15-16H2,1-5H3,(H,41,48,49).
What are the key properties of 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 699.72 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-[1]benzofuro[3,2-f]indazol-8-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163049572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).