3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

C23H20N4O2S — CID 164616232

IUPAC3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(OC)c1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1
InChIInChI=1S/C23H20N4O2S/c1-26-14-16(12-25-26)15-9-10-27-17(13-24-22(27)11-15)20-7-8-21(30-20)23-18(28-2)5-4-6-19(23)29-3/h4-14H,1-3H3
InChIKeyKLSHWIBNWRYPMS-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.15
Rot. Bonds5

About 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 164616232) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID164616232
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(OC)c1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1
InChIInChI=1S/C23H20N4O2S/c1-26-14-16(12-25-26)15-9-10-27-17(13-24-22(27)11-15)20-7-8-21(30-20)23-18(28-2)5-4-6-19(23)29-3/h4-14H,1-3H3
InChIKeyKLSHWIBNWRYPMS-UHFFFAOYSA-N
XLogP5.15
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229974
3-[5-[2-Methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164613273
6-(2,6-Dimethoxyphenyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 153621290
2-[2-(3,5-Dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 145974821
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 118711417
7-(4-Methoxyphenyl)-6-thiophen-2-ylimidazo[2,1-c][1,2,4]triazine
CID 145958513
3-Thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 155554256
5-(7-Methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 71715793
7-[(2,4-Dimethylimidazol-1-yl)methyl]-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89773358
2-Butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 135300391
US20240025892, Example 61
CID 163961995
US20240025892, Example 65
CID 171034519

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 164616232) is 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is COc1cccc(OC)c1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1.
What is the InChIKey of 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is KLSHWIBNWRYPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-26-14-16(12-25-26)15-9-10-27-17(13-24-22(27)11-15)20-7-8-21(30-20)23-18(28-2)5-4-6-19(23)29-3/h4-14H,1-3H3.
What are the key properties of 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 416.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164616232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).