9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine

C36H36N18 — CID 70979756

IUPAC9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
SMILESCN1CCC(n2c(Cn3cnc4c(N)ncnc43)nc3cccnc32)CC1.Nc1cnc2c(c1)nc(Cn1cnc3c(N)ncnc31)n2-c1ccccc1
InChIInChI=1S/C18H21N9.C18H15N9/c1-25-7-4-12(5-8-25)27-14(24-13-3-2-6-20-17(13)27)9-26-11-23-15-16(19)21-10-22-18(15)26;19-11-6-13-17(21-7-11)27(12-4-2-1-3-5-12)14(25-13)8-26-10-24-15-16(20)22-9-23-18(15)26/h2-3,6,10-12H,4-5,7-9H2,1H3,(H2,19,21,22);1-7,9-10H,8,19H2,(H2,20,22,23)
InChIKeyBJFSYARXZQHMEY-UHFFFAOYSA-N
MW720.81 g/mol
LogP3.24
Rot. Bonds6

About 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine

9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine (PubChem CID 70979756) has the molecular formula C36H36N18 and a molecular weight of 720.81 g/mol. Its IUPAC name is 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
PubChem CID70979756
Molecular FormulaC36H36N18
Molecular Weight720.81 g/mol
Exact Mass720.34
IUPAC Name9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
SMILESCN1CCC(n2c(Cn3cnc4c(N)ncnc43)nc3cccnc32)CC1.Nc1cnc2c(c1)nc(Cn1cnc3c(N)ncnc31)n2-c1ccccc1
InChIInChI=1S/C18H21N9.C18H15N9/c1-25-7-4-12(5-8-25)27-14(24-13-3-2-6-20-17(13)27)9-26-11-23-15-16(19)21-10-22-18(15)26;19-11-6-13-17(21-7-11)27(12-4-2-1-3-5-12)14(25-13)8-26-10-24-15-16(20)22-9-23-18(15)26/h2-3,6,10-12H,4-5,7-9H2,1H3,(H2,19,21,22);1-7,9-10H,8,19H2,(H2,20,22,23)
InChIKeyBJFSYARXZQHMEY-UHFFFAOYSA-N
XLogP3.24
TPSA229.92 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.81
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The IUPAC name of 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine (CID 70979756) is 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine is CN1CCC(n2c(Cn3cnc4c(N)ncnc43)nc3cccnc32)CC1.Nc1cnc2c(c1)nc(Cn1cnc3c(N)ncnc31)n2-c1ccccc1.
What is the InChIKey of 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
The InChIKey is BJFSYARXZQHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9.C18H15N9/c1-25-7-4-12(5-8-25)27-14(24-13-3-2-6-20-17(13)27)9-26-11-23-15-16(19)21-10-22-18(15)26;19-11-6-13-17(21-7-11)27(12-4-2-1-3-5-12)14(25-13)8-26-10-24-15-16(20)22-9-23-18(15)26/h2-3,6,10-12H,4-5,7-9H2,1H3,(H2,19,21,22);1-7,9-10H,8,19H2,(H2,20,22,23).
What are the key properties of 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine?
9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine has a molecular weight of 720.81 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-amino-3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]purin-6-amine;9-[[3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine is sourced from PubChem (CID 70979756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).