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

C17H21N5OS — CID 137018306

IUPAC3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1
InChIInChI=1S/C17H21N5OS/c1-3-15-20-10(2)16(24-15)12-9-19-22-13(8-14(23)21-17(12)22)11-4-6-18-7-5-11/h8-9,11,18H,3-7H2,1-2H3,(H,21,23)
InChIKeyXVZMSCMWODNYCC-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.48
Rot. Bonds3

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

3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018306) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018306
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1
InChIInChI=1S/C17H21N5OS/c1-3-15-20-10(2)16(24-15)12-9-19-22-13(8-14(23)21-17(12)22)11-4-6-18-7-5-11/h8-9,11,18H,3-7H2,1-2H3,(H,21,23)
InChIKeyXVZMSCMWODNYCC-UHFFFAOYSA-N
XLogP2.48
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018306) is 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1.
What is the InChIKey of 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XVZMSCMWODNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-15-20-10(2)16(24-15)12-9-19-22-13(8-14(23)21-17(12)22)11-4-6-18-7-5-11/h8-9,11,18H,3-7H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 343.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).