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

C19H25N7O3 — CID 137018426

IUPAC3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCN4CCOCC4)o3)c2[nH]1
InChIInChI=1S/C19H25N7O3/c27-16-11-15(13-1-4-20-5-2-13)26-18(22-16)14(12-21-26)19-24-23-17(29-19)3-6-25-7-9-28-10-8-25/h11-13,20H,1-10H2,(H,22,27)
InChIKeyNHUCFMPZAMRTKB-UHFFFAOYSA-N
MW399.46 g/mol
LogP0.41
Rot. Bonds5

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

3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018426) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018426
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCN4CCOCC4)o3)c2[nH]1
InChIInChI=1S/C19H25N7O3/c27-16-11-15(13-1-4-20-5-2-13)26-18(22-16)14(12-21-26)19-24-23-17(29-19)3-6-25-7-9-28-10-8-25/h11-13,20H,1-10H2,(H,22,27)
InChIKeyNHUCFMPZAMRTKB-UHFFFAOYSA-N
XLogP0.41
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

US10118930, Example 352
CID 137018395
US10118930, Example 289
CID 137018651
US10118930, Example 82
CID 137018277
US10118930, Example 92
CID 137018339
US10118930, Example 348
CID 137018357
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472
US10118930, Example 165
CID 137018489
US10118930, Example 23
CID 137018513
US10118930, Example 173
CID 137018525
US10118930, Example 174
CID 137018603
US10118930, Example 293
CID 137018628

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018426) is 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCN4CCOCC4)o3)c2[nH]1.
What is the InChIKey of 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NHUCFMPZAMRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c27-16-11-15(13-1-4-20-5-2-13)26-18(22-16)14(12-21-26)19-24-23-17(29-19)3-6-25-7-9-28-10-8-25/h11-13,20H,1-10H2,(H,22,27).
What are the key properties of 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 399.46 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).