6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine

C17H28N4O2S — CID 91607957

IUPAC6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine
SMILESCc1nc(N)c2nc(C(C)C)n(CCCCCS(C)(=O)=O)c2c1C
InChIInChI=1S/C17H28N4O2S/c1-11(2)17-20-14-15(12(3)13(4)19-16(14)18)21(17)9-7-6-8-10-24(5,22)23/h11H,6-10H2,1-5H3,(H2,18,19)
InChIKeyREUGZYLMCUGBGS-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.97
Rot. Bonds7

About 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine

6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine (PubChem CID 91607957) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine
PubChem CID91607957
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine
SMILESCc1nc(N)c2nc(C(C)C)n(CCCCCS(C)(=O)=O)c2c1C
InChIInChI=1S/C17H28N4O2S/c1-11(2)17-20-14-15(12(3)13(4)19-16(14)18)21(17)9-7-6-8-10-24(5,22)23/h11H,6-10H2,1-5H3,(H2,18,19)
InChIKeyREUGZYLMCUGBGS-UHFFFAOYSA-N
XLogP2.97
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine (CID 91607957) is 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine is Cc1nc(N)c2nc(C(C)C)n(CCCCCS(C)(=O)=O)c2c1C.
What is the InChIKey of 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is REUGZYLMCUGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-11(2)17-20-14-15(12(3)13(4)19-16(14)18)21(17)9-7-6-8-10-24(5,22)23/h11H,6-10H2,1-5H3,(H2,18,19).
What are the key properties of 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine?
6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 352.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(5-methylsulfonylpentyl)-2-propan-2-ylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 91607957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).