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

C39H30N6O6 — CID 163059609

IUPAC7-(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
SMILESCc1nn(-c2ccccc2)c2c1C(=O)C1(C)C(=C2)Oc2c(-c3ccc4c(=O)[nH]c(=O)n(CCc5c[nH]c6ccccc56)c4n3)c(O)c(C)c(O)c21
InChIInChI=1S/C39H30N6O6/c1-19-32(46)30(26-14-13-24-36(41-26)44(38(50)42-37(24)49)16-15-21-18-40-25-12-8-7-11-23(21)25)34-31(33(19)47)39(3)28(51-34)17-27-29(35(39)48)20(2)43-45(27)22-9-5-4-6-10-22/h4-14,17-18,40,46-47H,15-16H2,1-3H3,(H,42,49,50)
InChIKeyUSEZPBDDAUAQPV-UHFFFAOYSA-N
MW678.71 g/mol
LogP5.58
Rot. Bonds5

About 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

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 (PubChem CID 163059609) has the molecular formula C39H30N6O6 and a molecular weight of 678.71 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-(1H-indol-3-yl)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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID163059609
Molecular FormulaC39H30N6O6
Molecular Weight678.71 g/mol
Exact Mass678.22
IUPAC Name7-(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
SMILESCc1nn(-c2ccccc2)c2c1C(=O)C1(C)C(=C2)Oc2c(-c3ccc4c(=O)[nH]c(=O)n(CCc5c[nH]c6ccccc56)c4n3)c(O)c(C)c(O)c21
InChIInChI=1S/C39H30N6O6/c1-19-32(46)30(26-14-13-24-36(41-26)44(38(50)42-37(24)49)16-15-21-18-40-25-12-8-7-11-23(21)25)34-31(33(19)47)39(3)28(51-34)17-27-29(35(39)48)20(2)43-45(27)22-9-5-4-6-10-22/h4-14,17-18,40,46-47H,15-16H2,1-3H3,(H,42,49,50)
InChIKeyUSEZPBDDAUAQPV-UHFFFAOYSA-N
XLogP5.58
TPSA168.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.71
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
methyl 3-(furan-2-yl)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 110207959
6-hydroxy-5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 136815832
1-[2-(1H-indol-3-yl)ethyl]-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 4910465
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
CID 90716219
(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 55398267
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
(2S)-2-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-(1H-indol-3-yl)propanoic acid
CID 135937391

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-(1H-indol-3-yl)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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 163059609) is 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.
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-(1H-indol-3-yl)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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1nn(-c2ccccc2)c2c1C(=O)C1(C)C(=C2)Oc2c(-c3ccc4c(=O)[nH]c(=O)n(CCc5c[nH]c6ccccc56)c4n3)c(O)c(C)c(O)c21.
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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is USEZPBDDAUAQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N6O6/c1-19-32(46)30(26-14-13-24-36(41-26)44(38(50)42-37(24)49)16-15-21-18-40-25-12-8-7-11-23(21)25)34-31(33(19)47)39(3)28(51-34)17-27-29(35(39)48)20(2)43-45(27)22-9-5-4-6-10-22/h4-14,17-18,40,46-47H,15-16H2,1-3H3,(H,42,49,50).
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-(1H-indol-3-yl)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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 678.71 g/mol, XLogP of 5.58, 5 rotatable bonds, 4 hydrogen bond donors, and 10 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-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163059609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).