6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C16H17N7O2 — CID 56863474

IUPAC6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2nc(OC)c(CNc3ncnc4nc[nH]c34)cc2C1=O
InChIInChI=1S/C16H17N7O2/c1-3-23-6-11-10(16(23)24)4-9(15(22-11)25-2)5-17-13-12-14(19-7-18-12)21-8-20-13/h4,7-8H,3,5-6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyXOOQCWXKXOSBLP-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.34
Rot. Bonds5

About 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56863474) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56863474
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2nc(OC)c(CNc3ncnc4nc[nH]c34)cc2C1=O
InChIInChI=1S/C16H17N7O2/c1-3-23-6-11-10(16(23)24)4-9(15(22-11)25-2)5-17-13-12-14(19-7-18-12)21-8-20-13/h4,7-8H,3,5-6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyXOOQCWXKXOSBLP-UHFFFAOYSA-N
XLogP1.34
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56866762
6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56871244
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70743139
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
1-[2-[(7H-purin-6-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 70740937
2-[(7H-purin-6-ylamino)methyl]benzene-1,4-diol
CID 69242422
3,6-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123171522
2,3,5-trimethoxy-6-[(7H-purin-6-ylamino)methyl]phenol
CID 90450176
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56863474) is 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCN1Cc2nc(OC)c(CNc3ncnc4nc[nH]c34)cc2C1=O.
What is the InChIKey of 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XOOQCWXKXOSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-3-23-6-11-10(16(23)24)4-9(15(22-11)25-2)5-17-13-12-14(19-7-18-12)21-8-20-13/h4,7-8H,3,5-6H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 339.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56863474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).