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

C27H24Cl3N5O2S — CID 22032028

IUPAC2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride
SMILESCOc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC.Cl.Cl.Cl
InChIInChI=1S/C27H21N5O2S.3ClH/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);3*1H
InChIKeyHYNLZCMEKLAFAZ-UHFFFAOYSA-N
MW588.95 g/mol
LogP7.46
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;trihydrochloride

2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride (PubChem CID 22032028) has the molecular formula C27H24Cl3N5O2S and a molecular weight of 588.95 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;trihydrochloride.

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;trihydrochloride
PubChem CID22032028
Molecular FormulaC27H24Cl3N5O2S
Molecular Weight588.95 g/mol
Exact Mass587.07
IUPAC Name2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride
SMILESCOc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC.Cl.Cl.Cl
InChIInChI=1S/C27H21N5O2S.3ClH/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);3*1H
InChIKeyHYNLZCMEKLAFAZ-UHFFFAOYSA-N
XLogP7.46
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.95
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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;trihydrochloride?
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;trihydrochloride (CID 22032028) is 2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride.
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;trihydrochloride?
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;trihydrochloride is COc1ccc(-c2ccccc2-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)cc1OC.Cl.Cl.Cl.
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;trihydrochloride?
The InChIKey is HYNLZCMEKLAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2S.3ClH/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);3*1H.
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;trihydrochloride?
2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride has a molecular weight of 588.95 g/mol, XLogP of 7.46, 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;trihydrochloride is sourced from PubChem (CID 22032028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).