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

C16H19N5OS — CID 137018367

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)sc1C
InChIInChI=1S/C16H19N5OS/c1-9-10(2)23-16(19-9)12-8-18-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyKAVDACZUGDHYEK-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.23
Rot. Bonds2

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018367) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018367
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)sc1C
InChIInChI=1S/C16H19N5OS/c1-9-10(2)23-16(19-9)12-8-18-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyKAVDACZUGDHYEK-UHFFFAOYSA-N
XLogP2.23
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018367) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is KAVDACZUGDHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9-10(2)23-16(19-9)12-8-18-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 329.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).