7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one

C25H22N4O4 — CID 4891313

IUPAC7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
SMILES[H]/N=C1/C(=Cc2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)N=C2C=C(C)ON21
InChIInChI=1S/C25H22N4O4/c1-16-13-23-27-25(30)19(24(26)29(23)33-16)14-17-15-28(20-8-4-3-7-18(17)20)11-12-32-22-10-6-5-9-21(22)31-2/h3-10,13-15,26H,11-12H2,1-2H3/b19-14?,26-24-
InChIKeyLTTUMBHRUSZXSD-QZACVYFYSA-N
MW442.48 g/mol
LogP4.18
Rot. Bonds6

About 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one

7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one (PubChem CID 4891313) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
PubChem CID4891313
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
SMILES[H]/N=C1/C(=Cc2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)N=C2C=C(C)ON21
InChIInChI=1S/C25H22N4O4/c1-16-13-23-27-25(30)19(24(26)29(23)33-16)14-17-15-28(20-8-4-3-7-18(17)20)11-12-32-22-10-6-5-9-21(22)31-2/h3-10,13-15,26H,11-12H2,1-2H3/b19-14?,26-24-
InChIKeyLTTUMBHRUSZXSD-QZACVYFYSA-N
XLogP4.18
TPSA89.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one 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

(6Z)-6-[[3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 46254360
(6Z)-7-imino-6-[[3-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 46254343
5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 3604447
(6Z)-6-[[3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 46254165
(6Z)-7-imino-6-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 46254174
2-benzylsulfanyl-5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 4871815
(6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 46498811
(6Z)-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 46254273
(6Z)-5-imino-6-[[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2023687
7-imino-2-methyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 4886012
(6E)-6-[[3-bromo-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
CID 56727102
6-[[1-[2-(2,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 1007131

Frequently Asked Questions

What is the IUPAC name of 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The IUPAC name of 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one (CID 4891313) is 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one.
What is the SMILES notation for 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The canonical SMILES for 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one is [H]/N=C1/C(=Cc2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)N=C2C=C(C)ON21.
What is the InChIKey of 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The InChIKey is LTTUMBHRUSZXSD-QZACVYFYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-13-23-27-25(30)19(24(26)29(23)33-16)14-17-15-28(20-8-4-3-7-18(17)20)11-12-32-22-10-6-5-9-21(22)31-2/h3-10,13-15,26H,11-12H2,1-2H3/b19-14?,26-24-.
What are the key properties of 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one has a molecular weight of 442.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one is sourced from PubChem (CID 4891313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).