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

C18H22N6O2S — CID 137018581

IUPAC3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3cnc(N4CCOCC4)s3)c2[nH]1
InChIInChI=1S/C18H22N6O2S/c25-16-9-14(12-1-3-19-4-2-12)24-17(22-16)13(10-21-24)15-11-20-18(27-15)23-5-7-26-8-6-23/h9-12,19H,1-8H2,(H,22,25)
InChIKeyQOEKXIRQXTWPEO-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.45
Rot. Bonds3

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

3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018581) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018581
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3cnc(N4CCOCC4)s3)c2[nH]1
InChIInChI=1S/C18H22N6O2S/c25-16-9-14(12-1-3-19-4-2-12)24-17(22-16)13(10-21-24)15-11-20-18(27-15)23-5-7-26-8-6-23/h9-12,19H,1-8H2,(H,22,25)
InChIKeyQOEKXIRQXTWPEO-UHFFFAOYSA-N
XLogP1.45
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018581) is 3-(2-morpholin-4-yl-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-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3cnc(N4CCOCC4)s3)c2[nH]1.
What is the InChIKey of 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QOEKXIRQXTWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c25-16-9-14(12-1-3-19-4-2-12)24-17(22-16)13(10-21-24)15-11-20-18(27-15)23-5-7-26-8-6-23/h9-12,19H,1-8H2,(H,22,25).
What are the key properties of 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 386.48 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).