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

C20H25N5OS — CID 137018735

IUPAC3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C4CCCCC4)cs3)c2[nH]1
InChIInChI=1S/C20H25N5OS/c26-18-10-17(14-6-8-21-9-7-14)25-19(24-18)15(11-22-25)20-23-16(12-27-20)13-4-2-1-3-5-13/h10-14,21H,1-9H2,(H,24,26)
InChIKeyRPOBZXMMUMOCPU-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.66
Rot. Bonds3

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

3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018735) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018735
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C4CCCCC4)cs3)c2[nH]1
InChIInChI=1S/C20H25N5OS/c26-18-10-17(14-6-8-21-9-7-14)25-19(24-18)15(11-22-25)20-23-16(12-27-20)13-4-2-1-3-5-13/h10-14,21H,1-9H2,(H,24,26)
InChIKeyRPOBZXMMUMOCPU-UHFFFAOYSA-N
XLogP3.66
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018735) is 3-(4-cyclohexyl-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-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(C4CCCCC4)cs3)c2[nH]1.
What is the InChIKey of 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RPOBZXMMUMOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c26-18-10-17(14-6-8-21-9-7-14)25-19(24-18)15(11-22-25)20-23-16(12-27-20)13-4-2-1-3-5-13/h10-14,21H,1-9H2,(H,24,26).
What are the key properties of 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 383.52 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).