9-benzyl-2-pyridin-3-yl-7H-purin-8-one

C17H13N5O — CID 141219426

IUPAC9-benzyl-2-pyridin-3-yl-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccnc3)nc2n1Cc1ccccc1
InChIInChI=1S/C17H13N5O/c23-17-20-14-10-19-15(13-7-4-8-18-9-13)21-16(14)22(17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23)
InChIKeySXLDCLNIQRPQKG-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds3

About 9-benzyl-2-pyridin-3-yl-7H-purin-8-one

9-benzyl-2-pyridin-3-yl-7H-purin-8-one (PubChem CID 141219426) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 9-benzyl-2-pyridin-3-yl-7H-purin-8-one.

Molecular Properties

Compound Name9-benzyl-2-pyridin-3-yl-7H-purin-8-one
PubChem CID141219426
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name9-benzyl-2-pyridin-3-yl-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccnc3)nc2n1Cc1ccccc1
InChIInChI=1S/C17H13N5O/c23-17-20-14-10-19-15(13-7-4-8-18-9-13)21-16(14)22(17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23)
InChIKeySXLDCLNIQRPQKG-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide
CID 174765679
2-ethoxy-9-(pyridin-3-ylmethyl)-7H-purin-8-one
CID 146309189
9-benzyl-2-butoxy-7H-purin-8-one
CID 141175736
1-methyl-7-pyridin-3-yl-3-(pyridin-4-ylmethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53011113
9-[(4-hydroxyphenyl)methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139641
N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide
CID 139915656
2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one
CID 129140147
9-[(4-methylsulfonylphenyl)methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129140125
2-[2-(2-fluoroethoxy)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one
CID 156904895
9-[[4-(ethylamino)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 145315505
methyl 2-[(9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate
CID 67263722
2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one
CID 129139595

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-pyridin-3-yl-7H-purin-8-one?
The IUPAC name of 9-benzyl-2-pyridin-3-yl-7H-purin-8-one (CID 141219426) is 9-benzyl-2-pyridin-3-yl-7H-purin-8-one.
What is the SMILES notation for 9-benzyl-2-pyridin-3-yl-7H-purin-8-one?
The canonical SMILES for 9-benzyl-2-pyridin-3-yl-7H-purin-8-one is O=c1[nH]c2cnc(-c3cccnc3)nc2n1Cc1ccccc1.
What is the InChIKey of 9-benzyl-2-pyridin-3-yl-7H-purin-8-one?
The InChIKey is SXLDCLNIQRPQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17-20-14-10-19-15(13-7-4-8-18-9-13)21-16(14)22(17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23).
What are the key properties of 9-benzyl-2-pyridin-3-yl-7H-purin-8-one?
9-benzyl-2-pyridin-3-yl-7H-purin-8-one has a molecular weight of 303.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-pyridin-3-yl-7H-purin-8-one is sourced from PubChem (CID 141219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).