3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one

C15H18N8O — CID 167934406

IUPAC3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one
SMILESCc1[nH]nc2c1N(C(=O)CCn1cnc3c(N)ncnc31)CCC2
InChIInChI=1S/C15H18N8O/c1-9-13-10(21-20-9)3-2-5-23(13)11(24)4-6-22-8-19-12-14(16)17-7-18-15(12)22/h7-8H,2-6H2,1H3,(H,20,21)(H2,16,17,18)
InChIKeyBXEVIJDOJKASIM-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.81
Rot. Bonds3

About 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one

3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one (PubChem CID 167934406) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one
PubChem CID167934406
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one
SMILESCc1[nH]nc2c1N(C(=O)CCn1cnc3c(N)ncnc31)CCC2
InChIInChI=1S/C15H18N8O/c1-9-13-10(21-20-9)3-2-5-23(13)11(24)4-6-22-8-19-12-14(16)17-7-18-15(12)22/h7-8H,2-6H2,1H3,(H,20,21)(H2,16,17,18)
InChIKeyBXEVIJDOJKASIM-UHFFFAOYSA-N
XLogP0.81
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one with MolForge

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Related Compounds

9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
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CID 138058322
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
9-nonylpurin-6-amine
CID 3816519
9-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]purin-6-amine
CID 177370737

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one?
The IUPAC name of 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one (CID 167934406) is 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one.
What is the SMILES notation for 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one?
The canonical SMILES for 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one is Cc1[nH]nc2c1N(C(=O)CCn1cnc3c(N)ncnc31)CCC2.
What is the InChIKey of 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one?
The InChIKey is BXEVIJDOJKASIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-13-10(21-20-9)3-2-5-23(13)11(24)4-6-22-8-19-12-14(16)17-7-18-15(12)22/h7-8H,2-6H2,1H3,(H,20,21)(H2,16,17,18).
What are the key properties of 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one?
3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one has a molecular weight of 326.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopurin-9-yl)-1-(3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-yl)propan-1-one is sourced from PubChem (CID 167934406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).