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

C17H16N6O2 — CID 147979907

IUPAC4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1
InChIInChI=1S/C17H16N6O2/c18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23/h1-7,24H,8-10H2,(H2,18,20,21)
InChIKeyISZZVIDHKOLZLK-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-7-[[3-(hydroxymethyl)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 (PubChem CID 147979907) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID147979907
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1
InChIInChI=1S/C17H16N6O2/c18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23/h1-7,24H,8-10H2,(H2,18,20,21)
InChIKeyISZZVIDHKOLZLK-UHFFFAOYSA-N
XLogP0.83
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-7-[[3-(hydroxymethyl)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-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159951330
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-ethylphenyl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159255276
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-(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
4-amino-7-[(3-ethylphenyl)methyl]-2-(pentylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163985248
4-amino-2-methyl-7-[[3-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 123940426
4-amino-7-benzyl-2-sulfanylidene-3,5-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 148961154
4-amino-7-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 148880247
1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 63311734
6-amino-9-benzyl-2-pyrazol-1-yl-7H-purin-8-one
CID 71559053
N-[(4-amino-7-benzyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-oxo-propyl-λ6-sulfanylidene]pentanamide
CID 160708622

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 147979907) is 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1.
What is the InChIKey of 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ISZZVIDHKOLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23/h1-7,24H,8-10H2,(H2,18,20,21).
What are the key properties of 4-amino-7-[[3-(hydroxymethyl)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 has a molecular weight of 336.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 147979907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).