3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine

C43H59N23S5 — CID 160997663

About 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine

3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 160997663) has the molecular formula C43H59N23S5 and a molecular weight of 1058.44 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 160997663
• Molecular Formula: C43H59N23S5
• Molecular Weight: 1058.44 g/mol
• Exact Mass: 1057.39
• IUPAC Name: 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine
• SMILES: CSCCCn1cnc2c(N)ccnc21.CSCCn1cnc2c(N)nc(N)nc21.CSCCn1cnc2c(N)ncnc21.CSCCn1cnc2cccnc21.CSCCn1ncc2c(N)ncnc21
• InChI: InChI=1S/C10H14N4S.C9H11N3S.C8H12N6S.2C8H11N5S/c1-15-6-2-5-14-7-13-9-8(11)3-4-12-10(9)14;1-13-6-5-12-7-11-8-3-2-4-10-9(8)12;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;1-14-3-2-13-5-12-6-7(9)10-4-11-8(6)13;1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8/h3-4,7H,2,5-6H2,1H3,(H2,11,12);2-4,7H,5-6H2,1H3;4H,2-3H2,1H3,(H4,9,10,12,13);2*4-5H,2-3H2,1H3,(H2,9,10,11)
• InChIKey: TVLPGARQIOYCBJ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 322.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.44
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine (CID 160997663) is 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine is CSCCCn1cnc2c(N)ccnc21.CSCCn1cnc2c(N)nc(N)nc21.CSCCn1cnc2c(N)ncnc21.CSCCn1cnc2cccnc21.CSCCn1ncc2c(N)ncnc21.

What is the InChIKey of 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine?

The InChIKey is TVLPGARQIOYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S.C9H11N3S.C8H12N6S.2C8H11N5S/c1-15-6-2-5-14-7-13-9-8(11)3-4-12-10(9)14;1-13-6-5-12-7-11-8-3-2-4-10-9(8)12;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;1-14-3-2-13-5-12-6-7(9)10-4-11-8(6)13;1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8/h3-4,7H,2,5-6H2,1H3,(H2,11,12);2-4,7H,5-6H2,1H3;4H,2-3H2,1H3,(H4,9,10,12,13);2*4-5H,2-3H2,1H3,(H2,9,10,11).

What are the key properties of 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine?

3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 1058.44 g/mol, XLogP of 5.46, 16 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purin-6-amine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 160997663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).