8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one

C25H24N4O6 — CID 163093673

IUPAC8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one
SMILESCOCc1cc(C)nc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4C2(C)C3=O)n1
InChIInChI=1S/C25H24N4O6/c1-10-7-14(9-34-6)27-24(26-10)29-15-8-16-25(5,23(33)17(15)12(3)28-29)19-21(32)11(2)20(31)18(13(4)30)22(19)35-16/h7-8,31-32H,9H2,1-6H3
InChIKeySFJKXQQCHGOYFW-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.24
Rot. Bonds4

About 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one

8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one (PubChem CID 163093673) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one.

Molecular Properties

Compound Name8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one
PubChem CID163093673
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one
SMILESCOCc1cc(C)nc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4C2(C)C3=O)n1
InChIInChI=1S/C25H24N4O6/c1-10-7-14(9-34-6)27-24(26-10)29-15-8-16-25(5,23(33)17(15)12(3)28-29)19-21(32)11(2)20(31)18(13(4)30)22(19)35-16/h7-8,31-32H,9H2,1-6H3
InChIKeySFJKXQQCHGOYFW-UHFFFAOYSA-N
XLogP3.24
TPSA136.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one with MolForge

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Related Compounds

(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[1]benzofuro[3,2-f]indazol-4-one
CID 135640051
6-acetyl-7,9-dihydroxy-2-(1-methoxyethylidene)-8,9b-dimethyldibenzofuran-1,3-dione
CID 163192818
copper;bis(2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one)
CID 71300508
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-[[(S)-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-(4-methoxyphenyl)methyl]amino]ethylidene]-8,9b-dimethyldibenzofuran-1,3-dione
CID 125122075
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethylidene]dibenzofuran-1,3-dione
CID 110207966
(2E)-6-acetyl-2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
CID 110207391
methyl 5-[[1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene)ethylamino]methyl]furan-2-carboxylate
CID 163090684
N-[4-[1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene)ethylamino]phenyl]acetamide
CID 163021379
2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]acetic acid;N,N-diethylethanamine
CID 72706952
(2E,9bR)-6-acetyl-2-[1-(3-aminopropylamino)ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
CID 11555347
4-[5-[3-[1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene)ethylamino]-4-hydroxyphenyl]tetrazol-2-yl]butanoic acid
CID 163093442
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-(2-indol-1-ylethylamino)ethylidene]-8,9b-dimethyldibenzofuran-1,3-dione
CID 110206553

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one?
The IUPAC name of 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) is 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one.
What is the SMILES notation for 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one?
The canonical SMILES for 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one is COCc1cc(C)nc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4C2(C)C3=O)n1.
What is the InChIKey of 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one?
The InChIKey is SFJKXQQCHGOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-10-7-14(9-34-6)27-24(26-10)29-15-8-16-25(5,23(33)17(15)12(3)28-29)19-21(32)11(2)20(31)18(13(4)30)22(19)35-16/h7-8,31-32H,9H2,1-6H3.
What are the key properties of 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one?
8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one has a molecular weight of 476.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one is sourced from PubChem (CID 163093673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).