2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine

C17H28N6OS — CID 143196698

IUPAC2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1NC1CCN(SC)CC1
InChIInChI=1S/C17H28N6OS/c1-5-24-10-14-20-15-16(11(2)12(3)19-17(15)18)23(14)21-13-6-8-22(25-4)9-7-13/h13,21H,5-10H2,1-4H3,(H2,18,19)
InChIKeyYANGBYZAANCGEE-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.45
Rot. Bonds6

About 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine

2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine (PubChem CID 143196698) has the molecular formula C17H28N6OS and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine
PubChem CID143196698
Molecular FormulaC17H28N6OS
Molecular Weight364.52 g/mol
Exact Mass364.20
IUPAC Name2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1NC1CCN(SC)CC1
InChIInChI=1S/C17H28N6OS/c1-5-24-10-14-20-15-16(11(2)12(3)19-17(15)18)23(14)21-13-6-8-22(25-4)9-7-13/h13,21H,5-10H2,1-4H3,(H2,18,19)
InChIKeyYANGBYZAANCGEE-UHFFFAOYSA-N
XLogP2.45
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine?
The IUPAC name of 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine (CID 143196698) is 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine?
The canonical SMILES for 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine is CCOCc1nc2c(N)nc(C)c(C)c2n1NC1CCN(SC)CC1.
What is the InChIKey of 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine?
The InChIKey is YANGBYZAANCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6OS/c1-5-24-10-14-20-15-16(11(2)12(3)19-17(15)18)23(14)21-13-6-8-22(25-4)9-7-13/h13,21H,5-10H2,1-4H3,(H2,18,19).
What are the key properties of 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine?
2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine has a molecular weight of 364.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6,7-dimethyl-1-N-(1-methylsulfanylpiperidin-4-yl)imidazo[4,5-c]pyridine-1,4-diamine is sourced from PubChem (CID 143196698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).