6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

C19H18N4O2S — CID 118711417

IUPAC6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1
InChIInChI=1S/C19H18N4O2S/c1-22-11-13(9-21-22)16-10-20-19-7-5-15(12-23(16)19)26-18-8-14(24-2)4-6-17(18)25-3/h4-12H,1-3H3
InChIKeyOFQPICHKSZGJBA-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.90
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 118711417) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID118711417
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1
InChIInChI=1S/C19H18N4O2S/c1-22-11-13(9-21-22)16-10-20-19-7-5-15(12-23(16)19)26-18-8-14(24-2)4-6-17(18)25-3/h4-12H,1-3H3
InChIKeyOFQPICHKSZGJBA-UHFFFAOYSA-N
XLogP3.90
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 118711417) is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is OFQPICHKSZGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-22-11-13(9-21-22)16-10-20-19-7-5-15(12-23(16)19)26-18-8-14(24-2)4-6-17(18)25-3/h4-12H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 366.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 118711417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).