[(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

C24H21Cl2FN4OS — CID 25167345

IUPAC[(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
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(Cl)cc(Cl)c3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H21Cl2FN4OS/c1-14-28-21(22(33-14)15-5-7-17(27)8-6-15)24(32)31-9-3-2-4-19(31)11-18-13-30-12-16(25)10-20(26)23(30)29-18/h5-8,10,12-13,19H,2-4,9,11H2,1H3/t19-/m0/s1
InChIKeyVWHFGJQVHLAOOB-IBGZPJMESA-N
MW503.43 g/mol
LogP6.45
Rot. Bonds4

About [(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

[(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 (PubChem CID 25167345) has the molecular formula C24H21Cl2FN4OS and a molecular weight of 503.43 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID25167345
Molecular FormulaC24H21Cl2FN4OS
Molecular Weight503.43 g/mol
Exact Mass502.08
IUPAC Name[(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
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(Cl)cc(Cl)c3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H21Cl2FN4OS/c1-14-28-21(22(33-14)15-5-7-17(27)8-6-15)24(32)31-9-3-2-4-19(31)11-18-13-30-12-16(25)10-20(26)23(30)29-18/h5-8,10,12-13,19H,2-4,9,11H2,1H3/t19-/m0/s1
InChIKeyVWHFGJQVHLAOOB-IBGZPJMESA-N
XLogP6.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 56.45
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-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67089896
[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 10160068
[(2S)-2-[(4-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 66968232
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[(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
[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-[(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-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67157956
[2-[(6-bromo-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 23146268
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
[(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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(Cl)cc(Cl)c3n2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [(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?
The InChIKey is VWHFGJQVHLAOOB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21Cl2FN4OS/c1-14-28-21(22(33-14)15-5-7-17(27)8-6-15)24(32)31-9-3-2-4-19(31)11-18-13-30-12-16(25)10-20(26)23(30)29-18/h5-8,10,12-13,19H,2-4,9,11H2,1H3/t19-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 503.43 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 25167345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).