9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine

C20H18N8 — CID 70922553

IUPAC9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
SMILESCc1ccc2nc(Cn3cnc4c(N)ncnc43)n(-c3ccccc3C)c2n1
InChIInChI=1S/C20H18N8/c1-12-5-3-4-6-15(12)28-16(26-14-8-7-13(2)25-19(14)28)9-27-11-24-17-18(21)22-10-23-20(17)27/h3-8,10-11H,9H2,1-2H3,(H2,21,22,23)
InChIKeyIKTFVZPZJMDGBX-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.81
Rot. Bonds3

About 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine

9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine (PubChem CID 70922553) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
PubChem CID70922553
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
SMILESCc1ccc2nc(Cn3cnc4c(N)ncnc43)n(-c3ccccc3C)c2n1
InChIInChI=1S/C20H18N8/c1-12-5-3-4-6-15(12)28-16(26-14-8-7-13(2)25-19(14)28)9-27-11-24-17-18(21)22-10-23-20(17)27/h3-8,10-11H,9H2,1-2H3,(H2,21,22,23)
InChIKeyIKTFVZPZJMDGBX-UHFFFAOYSA-N
XLogP2.81
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine with MolForge

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Related Compounds

5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 81138231
bis(2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)-3-(2-methylphenyl)-4H-quinazolin-4-ol);bis(2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one);methane;sulfane
CID 157299605
9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10181189
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
CID 71610016
3-[(6-aminopurin-9-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 160664819
2-[[6-amino-8-(4-aminophenyl)purin-9-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 102343109
9-[3-(2-methylphenyl)sulfanylpropyl]purin-6-amine
CID 62873662
2-(1-chloroethyl)-5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 81135529
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
2-[[4-amino-3-[(dimethylamino)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 70666942

Frequently Asked Questions

What is the IUPAC name of 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine (CID 70922553) is 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine is Cc1ccc2nc(Cn3cnc4c(N)ncnc43)n(-c3ccccc3C)c2n1.
What is the InChIKey of 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The InChIKey is IKTFVZPZJMDGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-12-5-3-4-6-15(12)28-16(26-14-8-7-13(2)25-19(14)28)9-27-11-24-17-18(21)22-10-23-20(17)27/h3-8,10-11H,9H2,1-2H3,(H2,21,22,23).
What are the key properties of 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine has a molecular weight of 370.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine is sourced from PubChem (CID 70922553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).