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

C31H25N5O7 — CID 162968278

IUPAC7-[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
SMILESCOc1ccc(-n2nc(C)c3c2C=C2Oc4c(-c5ccc6c(=O)[nH]c(=O)n(C)c6n5)c(O)c(C)c(O)c4C2(C)C3=O)cc1
InChIInChI=1S/C31H25N5O7/c1-13-24(37)22(18-11-10-17-28(32-18)35(4)30(41)33-29(17)40)26-23(25(13)38)31(3)20(43-26)12-19-21(27(31)39)14(2)34-36(19)15-6-8-16(42-5)9-7-15/h6-12,37-38H,1-5H3,(H,33,40,41)
InChIKeyNQZFYNUGPPCXMT-UHFFFAOYSA-N
MW579.57 g/mol
LogP3.40
Rot. Bonds3

About 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

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 (PubChem CID 162968278) has the molecular formula C31H25N5O7 and a molecular weight of 579.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID162968278
Molecular FormulaC31H25N5O7
Molecular Weight579.57 g/mol
Exact Mass579.18
IUPAC Name7-[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
SMILESCOc1ccc(-n2nc(C)c3c2C=C2Oc4c(-c5ccc6c(=O)[nH]c(=O)n(C)c6n5)c(O)c(C)c(O)c4C2(C)C3=O)cc1
InChIInChI=1S/C31H25N5O7/c1-13-24(37)22(18-11-10-17-28(32-18)35(4)30(41)33-29(17)40)26-23(25(13)38)31(3)20(43-26)12-19-21(27(31)39)14(2)34-36(19)15-6-8-16(42-5)9-7-15/h6-12,37-38H,1-5H3,(H,33,40,41)
InChIKeyNQZFYNUGPPCXMT-UHFFFAOYSA-N
XLogP3.40
TPSA161.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.57
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 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

7-[(4aR)-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-f]indazol-8-yl]-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154804651
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
1-[7-[(4aR)-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-4-oxo-[1]benzofuro[3,2-f]indazol-8-yl]-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 154804660
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638739
8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one
CID 163093673
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638894
1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048975
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
(7S)-9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 943195
methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490228

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-n2nc(C)c3c2C=C2Oc4c(-c5ccc6c(=O)[nH]c(=O)n(C)c6n5)c(O)c(C)c(O)c4C2(C)C3=O)cc1.
What is the InChIKey of 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?
The InChIKey is NQZFYNUGPPCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O7/c1-13-24(37)22(18-11-10-17-28(32-18)35(4)30(41)33-29(17)40)26-23(25(13)38)31(3)20(43-26)12-19-21(27(31)39)14(2)34-36(19)15-6-8-16(42-5)9-7-15/h6-12,37-38H,1-5H3,(H,33,40,41).
What are the key properties of 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?
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 has a molecular weight of 579.57 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162968278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).