9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine

C17H18N6 — CID 176927547

IUPAC9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
SMILESCc1nc(C(C)C)c2ncn(Cc3ccc4nccn4c3)c2n1
InChIInChI=1S/C17H18N6/c1-11(2)15-16-17(21-12(3)20-15)23(10-19-16)9-13-4-5-14-18-6-7-22(14)8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyWLABCJDBFSUPSX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds3

About 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine

9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine (PubChem CID 176927547) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine.

Molecular Properties

Compound Name9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
PubChem CID176927547
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
SMILESCc1nc(C(C)C)c2ncn(Cc3ccc4nccn4c3)c2n1
InChIInChI=1S/C17H18N6/c1-11(2)15-16-17(21-12(3)20-15)23(10-19-16)9-13-4-5-14-18-6-7-22(14)8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyWLABCJDBFSUPSX-UHFFFAOYSA-N
XLogP2.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole
CID 176927566
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
6-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride
CID 19973456
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611
2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
CID 155323723
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
CID 75365546
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
CID 168663176
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715001

Frequently Asked Questions

What is the IUPAC name of 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine?
The IUPAC name of 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine (CID 176927547) is 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine.
What is the SMILES notation for 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine?
The canonical SMILES for 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine is Cc1nc(C(C)C)c2ncn(Cc3ccc4nccn4c3)c2n1.
What is the InChIKey of 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine?
The InChIKey is WLABCJDBFSUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-11(2)15-16-17(21-12(3)20-15)23(10-19-16)9-13-4-5-14-18-6-7-22(14)8-13/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine?
9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine has a molecular weight of 306.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine is sourced from PubChem (CID 176927547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).