3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one

C24H31N5O2S — CID 53197165

IUPAC3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)CCC5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C24H31N5O2S/c1-17-22-23(29(26-17)19-8-10-20(31-2)11-9-19)25-24(32-22)28-15-13-27(14-16-28)21(30)12-7-18-5-3-4-6-18/h8-11,18H,3-7,12-16H2,1-2H3
InChIKeyGPVWPXUBQJBFFR-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.42
Rot. Bonds6

About 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one (PubChem CID 53197165) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one
PubChem CID53197165
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)CCC5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C24H31N5O2S/c1-17-22-23(29(26-17)19-8-10-20(31-2)11-9-19)25-24(32-22)28-15-13-27(14-16-28)21(30)12-7-18-5-3-4-6-18/h8-11,18H,3-7,12-16H2,1-2H3
InChIKeyGPVWPXUBQJBFFR-UHFFFAOYSA-N
XLogP4.42
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]ethanone
CID 53197159
cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197298
(2,4-dimethylphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198249
(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197196
(3R)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
3-cyclopentyl-1-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 30938339
1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 53198283
1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358
2,2-dimethyl-1-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one
CID 53198361
(2-methoxyphenyl)-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198334
2-(3-chloro-4-methoxyphenyl)-1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]ethanone
CID 53197258
(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone
CID 53197343

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one (CID 53197165) is 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one is COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)CCC5CCCC5)CC4)nc32)cc1.
What is the InChIKey of 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one?
The InChIKey is GPVWPXUBQJBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-17-22-23(29(26-17)19-8-10-20(31-2)11-9-19)25-24(32-22)28-15-13-27(14-16-28)21(30)12-7-18-5-3-4-6-18/h8-11,18H,3-7,12-16H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one has a molecular weight of 453.61 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).