2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

C21H17N5O2S — CID 23537381

IUPAC2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC
InChIInChI=1S/C21H17N5O2S/c1-27-17-5-3-13(9-18(17)28-2)20-15(10-24-25-20)14-4-6-19-23-11-16(26(19)12-14)21-22-7-8-29-21/h3-12H,1-2H3,(H,24,25)
InChIKeyKDLHAEMZTUBPJB-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.53
Rot. Bonds5

About 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 23537381) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID23537381
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC
InChIInChI=1S/C21H17N5O2S/c1-27-17-5-3-13(9-18(17)28-2)20-15(10-24-25-20)14-4-6-19-23-11-16(26(19)12-14)21-22-7-8-29-21/h3-12H,1-2H3,(H,24,25)
InChIKeyKDLHAEMZTUBPJB-UHFFFAOYSA-N
XLogP4.53
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009816
3-[[3-Methoxy-4-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009830
2-[1-[1-(4-Methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 25150449
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70689068
3-(3,4-Dimethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 156011254
3-[5-[2-Methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164613273
1-(3-methoxy-4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 57960913
2-(3,4-Dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51360020
2-methoxy-4-(3-{[(3-phenyl-1H-pyrazol-4-yl)methylene]amino}imidazo[1,2-a]pyridin-2-yl)phenol
CID 135446691
6-(1,3-Benzodioxol-5-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 155553952
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857915
3-(3,4-Dimethoxy-phenyl)-6-(2-thienyl)imidazo [1,2-b]pyridazine
CID 126673112

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 23537381) is 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is COc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC.
What is the InChIKey of 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is KDLHAEMZTUBPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-27-17-5-3-13(9-18(17)28-2)20-15(10-24-25-20)14-4-6-19-23-11-16(26(19)12-14)21-22-7-8-29-21/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 403.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 23537381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).