7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione

C12H13N5S — CID 79288641

IUPAC7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCn1cccn1
InChIInChI=1S/C12H13N5S/c1-9-3-5-13-11-10(9)15-12(18)17(11)8-7-16-6-2-4-14-16/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyMOQQZFGERCNQCT-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.30
Rot. Bonds3

About 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione

7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288641) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288641
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCn1cccn1
InChIInChI=1S/C12H13N5S/c1-9-3-5-13-11-10(9)15-12(18)17(11)8-7-16-6-2-4-14-16/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyMOQQZFGERCNQCT-UHFFFAOYSA-N
XLogP2.30
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288641) is 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CCn1cccn1.
What is the InChIKey of 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is MOQQZFGERCNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-9-3-5-13-11-10(9)15-12(18)17(11)8-7-16-6-2-4-14-16/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 259.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).