7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine

C15H17N5OS — CID 141082402

IUPAC7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine
SMILESCc1cncc2ncn(CCCCS(=O)c3ncccn3)c12
InChIInChI=1S/C15H17N5OS/c1-12-9-16-10-13-14(12)20(11-19-13)7-2-3-8-22(21)15-17-5-4-6-18-15/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyZGZVEFSPBFAMLL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.12
Rot. Bonds6

About 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine

7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine (PubChem CID 141082402) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine
PubChem CID141082402
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine
SMILESCc1cncc2ncn(CCCCS(=O)c3ncccn3)c12
InChIInChI=1S/C15H17N5OS/c1-12-9-16-10-13-14(12)20(11-19-13)7-2-3-8-22(21)15-17-5-4-6-18-15/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyZGZVEFSPBFAMLL-UHFFFAOYSA-N
XLogP2.12
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
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 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine?
The IUPAC name of 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine (CID 141082402) is 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine is Cc1cncc2ncn(CCCCS(=O)c3ncccn3)c12.
What is the InChIKey of 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine?
The InChIKey is ZGZVEFSPBFAMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-12-9-16-10-13-14(12)20(11-19-13)7-2-3-8-22(21)15-17-5-4-6-18-15/h4-6,9-11H,2-3,7-8H2,1H3.
What are the key properties of 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine?
7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine has a molecular weight of 315.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).