3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

C21H15ClN4S — CID 164612637

IUPAC3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4ccc(-c5cccc(Cl)c5)s4)cnc3c2)cn1
InChIInChI=1S/C21H15ClN4S/c1-25-13-16(11-24-25)14-7-8-26-18(12-23-21(26)10-14)20-6-5-19(27-20)15-3-2-4-17(22)9-15/h2-13H,1H3
InChIKeyJGDCBWHESDAKNG-UHFFFAOYSA-N
MW390.90 g/mol
LogP5.78
Rot. Bonds3

About 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 164612637) has the molecular formula C21H15ClN4S and a molecular weight of 390.90 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID164612637
Molecular FormulaC21H15ClN4S
Molecular Weight390.90 g/mol
Exact Mass390.07
IUPAC Name3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4ccc(-c5cccc(Cl)c5)s4)cnc3c2)cn1
InChIInChI=1S/C21H15ClN4S/c1-25-13-16(11-24-25)14-7-8-26-18(12-23-21(26)10-14)20-6-5-19(27-20)15-3-2-4-17(22)9-15/h2-13H,1H3
InChIKeyJGDCBWHESDAKNG-UHFFFAOYSA-N
XLogP5.78
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 164612637) is 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(Cl)c5)s4)cnc3c2)cn1.
What is the InChIKey of 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is JGDCBWHESDAKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4S/c1-25-13-16(11-24-25)14-7-8-26-18(12-23-21(26)10-14)20-6-5-19(27-20)15-3-2-4-17(22)9-15/h2-13H,1H3.
What are the key properties of 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 390.90 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164612637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).