3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C16H17ClF3N5OS — CID 137025864

IUPAC3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1sc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)nc1C(F)(F)F.Cl
InChIInChI=1S/C16H16F3N5OS.ClH/c1-8-13(16(17,18)19)23-15(26-8)10-7-21-24-11(6-12(25)22-14(10)24)9-2-4-20-5-3-9;/h6-7,9,20H,2-5H2,1H3,(H,22,25);1H
InChIKeyXYQBWCVPSYIJSY-UHFFFAOYSA-N
MW419.86 g/mol
LogP3.36
Rot. Bonds2

About 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137025864) has the molecular formula C16H17ClF3N5OS and a molecular weight of 419.86 g/mol. Its IUPAC name is 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137025864
Molecular FormulaC16H17ClF3N5OS
Molecular Weight419.86 g/mol
Exact Mass419.08
IUPAC Name3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1sc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)nc1C(F)(F)F.Cl
InChIInChI=1S/C16H16F3N5OS.ClH/c1-8-13(16(17,18)19)23-15(26-8)10-7-21-24-11(6-12(25)22-14(10)24)9-2-4-20-5-3-9;/h6-7,9,20H,2-5H2,1H3,(H,22,25);1H
InChIKeyXYQBWCVPSYIJSY-UHFFFAOYSA-N
XLogP3.36
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018627
3-(4-cyclopropyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251827
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018486
3-[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026096
3-[3-[2,4-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026282
2,2,2-trifluoroethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251800
3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251870
3-[5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025960
3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018681
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251873
3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251868
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137025864) is 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cc1sc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)nc1C(F)(F)F.Cl.
What is the InChIKey of 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is XYQBWCVPSYIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5OS.ClH/c1-8-13(16(17,18)19)23-15(26-8)10-7-21-24-11(6-12(25)22-14(10)24)9-2-4-20-5-3-9;/h6-7,9,20H,2-5H2,1H3,(H,22,25);1H.
What are the key properties of 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 419.86 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137025864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).