4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C19H18N6O2 — CID 159951330

IUPAC4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1
InChIInChI=1S/C19H18N6O2/c1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25/h3-9H,1,10-11H2,2H3,(H2,20,22,23)
InChIKeyZYRJNVBXPPGXMB-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159951330) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159951330
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1
InChIInChI=1S/C19H18N6O2/c1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25/h3-9H,1,10-11H2,2H3,(H2,20,22,23)
InChIKeyZYRJNVBXPPGXMB-UHFFFAOYSA-N
XLogP1.95
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-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

4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 147979907
4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 147919325
4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride
CID 162007497
methane;methyl 3-[[(6-amino-5-nitro-2-pyrazol-1-ylpyrimidin-4-yl)-ethoxycarbonylamino]methyl]benzoate;methyl 3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]benzoate;oxygen(2-)
CID 167582928
4-amino-7-[(3-ethylphenyl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159255276
4-amino-7-[(3-ethylphenyl)methyl]-2-(pentylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163985248
4-amino-7-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 148880247
methyl 2-[3-[[2-(4-amino-2-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl-methylamino]methyl]phenyl]acetate
CID 58551931
methyl 2-[3-[3-(4-amino-2-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]phenyl]acetate
CID 58551966
methyl 2-[3-[2-(4-amino-2-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)ethylsulfamoyl]phenyl]acetate
CID 58551980
4-amino-2-(1H-imidazol-2-yl)-7-[[6-(2-oxopropoxy)-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158880113
4-amino-7-benzyl-2-sulfanylidene-3,5-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 148961154

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159951330) is 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is C=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.
What is the InChIKey of 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ZYRJNVBXPPGXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25/h3-9H,1,10-11H2,2H3,(H2,20,22,23).
What are the key properties of 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 362.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159951330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).