[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride

C25H26Cl2N4OS — CID 68942275

IUPAC[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2nc3c(C)cccn3c2Cl)c(-c2ccccc2)s1.Cl
InChIInChI=1S/C25H25ClN4OS.ClH/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18;/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3;1H/t19-;/m0./s1
InChIKeyWGMYEQURPLTGJD-FYZYNONXSA-N
MW501.48 g/mol
LogP6.39
Rot. Bonds4

About [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride

[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride (PubChem CID 68942275) has the molecular formula C25H26Cl2N4OS and a molecular weight of 501.48 g/mol. Its IUPAC name is [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride
PubChem CID68942275
Molecular FormulaC25H26Cl2N4OS
Molecular Weight501.48 g/mol
Exact Mass500.12
IUPAC Name[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2nc3c(C)cccn3c2Cl)c(-c2ccccc2)s1.Cl
InChIInChI=1S/C25H25ClN4OS.ClH/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18;/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3;1H/t19-;/m0./s1
InChIKeyWGMYEQURPLTGJD-FYZYNONXSA-N
XLogP6.39
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25166941
[(2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 67283569
[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
CID 46701613
[(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 67284106
[(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25164341
[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 67283624
[(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 173060361
[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25152687
[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 10160068
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(4-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 67157873
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-1-yl]methanone
CID 23146308
[(2S)-2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 25167345

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride?
The IUPAC name of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride (CID 68942275) is [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride is Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3c(C)cccn3c2Cl)c(-c2ccccc2)s1.Cl.
What is the InChIKey of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride?
The InChIKey is WGMYEQURPLTGJD-FYZYNONXSA-N. The full InChI is InChI=1S/C25H25ClN4OS.ClH/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18;/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3;1H/t19-;/m0./s1.
What are the key properties of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride?
[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride has a molecular weight of 501.48 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 68942275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).