1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

C25H28FN5OS — CID 134173508

IUPAC1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H28FN5OS/c1-3-21-25(29(2)15-24-28-22(16-33-24)17-4-6-18(26)7-5-17)31-14-19(8-9-23(31)27-21)30-12-10-20(32)11-13-30/h4-9,14,16,20,32H,3,10-13,15H2,1-2H3
InChIKeyKLKWSVITEICWHG-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (PubChem CID 134173508) has the molecular formula C25H28FN5OS and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
PubChem CID134173508
Molecular FormulaC25H28FN5OS
Molecular Weight465.60 g/mol
Exact Mass465.20
IUPAC Name1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H28FN5OS/c1-3-21-25(29(2)15-24-28-22(16-33-24)17-4-6-18(26)7-5-17)31-14-19(8-9-23(31)27-21)30-12-10-20(32)11-13-30/h4-9,14,16,20,32H,3,10-13,15H2,1-2H3
InChIKeyKLKWSVITEICWHG-UHFFFAOYSA-N
XLogP4.76
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 130273086
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]propan-1-one
CID 78425994
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]sulfinylpropan-1-ol
CID 134173458
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-2-oxoacetamide;2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-2-oxoacetic acid
CID 157327035
N-[6-(4-aminopiperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 158002168
2-(3,3-difluoroazetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetaldehyde
CID 90420491
2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
CID 90421240
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetic acid
CID 130274172
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446713
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
CID 134173342
N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 142728646

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (CID 134173508) is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is CCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)Cc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The InChIKey is KLKWSVITEICWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5OS/c1-3-21-25(29(2)15-24-28-22(16-33-24)17-4-6-18(26)7-5-17)31-14-19(8-9-23(31)27-21)30-12-10-20(32)11-13-30/h4-9,14,16,20,32H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol has a molecular weight of 465.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is sourced from PubChem (CID 134173508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).