2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C20H22ClN5OS — CID 154836877

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(C)c1Cl
InChIInChI=1S/C20H22ClN5OS/c1-13-19(21)14(2)26(24-13)11-18(27)25-9-5-16(6-10-25)20-23-17(12-28-20)15-3-7-22-8-4-15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyNHFLMTXOOMQCSM-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 154836877) has the molecular formula C20H22ClN5OS and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID154836877
Molecular FormulaC20H22ClN5OS
Molecular Weight415.95 g/mol
Exact Mass415.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(C)c1Cl
InChIInChI=1S/C20H22ClN5OS/c1-13-19(21)14(2)26(24-13)11-18(27)25-9-5-16(6-10-25)20-23-17(12-28-20)15-3-7-22-8-4-15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyNHFLMTXOOMQCSM-UHFFFAOYSA-N
XLogP4.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75463147
[2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 66911566
1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 166108063
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577626
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 91784473
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99806155
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95758834
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 154834841
1-[4-[4-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3-ethyl-5-methylpyrazol-1-yl)ethanone
CID 143478143
2-(5-amino-3-methylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 86284234
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 72901712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 154836877) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1nn(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NHFLMTXOOMQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5OS/c1-13-19(21)14(2)26(24-13)11-18(27)25-9-5-16(6-10-25)20-23-17(12-28-20)15-3-7-22-8-4-15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 415.95 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154836877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).