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

C16H19N5OS — CID 110132643

IUPAC2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(Cc4nccs4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H19N5OS/c1-11-8-14-18-13(9-16(22)21(14)19-11)12-2-5-20(6-3-12)10-15-17-4-7-23-15/h4,7-9,12,19H,2-3,5-6,10H2,1H3
InChIKeyIGYYTHFLMLINRK-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.17
Rot. Bonds3

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

2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132643) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132643
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(Cc4nccs4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H19N5OS/c1-11-8-14-18-13(9-16(22)21(14)19-11)12-2-5-20(6-3-12)10-15-17-4-7-23-15/h4,7-9,12,19H,2-3,5-6,10H2,1H3
InChIKeyIGYYTHFLMLINRK-UHFFFAOYSA-N
XLogP2.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132643) is 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(Cc4nccs4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IGYYTHFLMLINRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-8-14-18-13(9-16(22)21(14)19-11)12-2-5-20(6-3-12)10-15-17-4-7-23-15/h4,7-9,12,19H,2-3,5-6,10H2,1H3.
What are the key properties of 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 329.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).