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

C27H21N5O2S — CID 22032029

IUPAC2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC
InChIInChI=1S/C27H21N5O2S/c1-33-23-9-7-17(13-24(23)34-2)19-5-3-4-6-20(19)26-21(14-30-31-26)18-8-10-25-29-15-22(32(25)16-18)27-28-11-12-35-27/h3-16H,1-2H3,(H,30,31)
InChIKeyKZPCWKSNMXZXQK-UHFFFAOYSA-N
MW479.57 g/mol
LogP6.20
Rot. Bonds6

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

2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 22032029) has the molecular formula C27H21N5O2S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID22032029
Molecular FormulaC27H21N5O2S
Molecular Weight479.57 g/mol
Exact Mass479.14
IUPAC Name2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC
InChIInChI=1S/C27H21N5O2S/c1-33-23-9-7-17(13-24(23)34-2)19-5-3-4-6-20(19)26-21(14-30-31-26)18-8-10-25-29-15-22(32(25)16-18)27-28-11-12-35-27/h3-16H,1-2H3,(H,30,31)
InChIKeyKZPCWKSNMXZXQK-UHFFFAOYSA-N
XLogP6.20
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 56.20
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
4-[6-(4-Methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazole
CID 117769354
5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805773
3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 22031265
2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095201
2-Fluoro-9-[2-(2-methylpropylamino)ethyl]-8-[[6-(1,3-thiazol-2-yl)-1,3-benzodioxol-5-yl]methyl]purin-6-amine
CID 67116897
4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 121241465
2-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)-4-propan-2-yl-1H-pyrazol-5-yl]-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1,3-thiazole
CID 156320614
5-[(2R)-4-(2-fluoroethyl)-2-methylpiperazin-1-yl]-2-[3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
CID 156321091

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 22032029) is 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is COc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC.
What is the InChIKey of 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is KZPCWKSNMXZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2S/c1-33-23-9-7-17(13-24(23)34-2)19-5-3-4-6-20(19)26-21(14-30-31-26)18-8-10-25-29-15-22(32(25)16-18)27-28-11-12-35-27/h3-16H,1-2H3,(H,30,31).
What are the key properties of 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 479.57 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 22032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).