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

C19H25N7O2 — CID 137018734

IUPAC7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CN4CCCCC4)o3)c2[nH]1
InChIInChI=1S/C19H25N7O2/c27-16-10-15(13-4-6-20-7-5-13)26-18(22-16)14(11-21-26)19-24-23-17(28-19)12-25-8-2-1-3-9-25/h10-11,13,20H,1-9,12H2,(H,22,27)
InChIKeyBIKKFYNZDRCRDK-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.53
Rot. Bonds4

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

7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018734) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018734
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CN4CCCCC4)o3)c2[nH]1
InChIInChI=1S/C19H25N7O2/c27-16-10-15(13-4-6-20-7-5-13)26-18(22-16)14(11-21-26)19-24-23-17(28-19)12-25-8-2-1-3-9-25/h10-11,13,20H,1-9,12H2,(H,22,27)
InChIKeyBIKKFYNZDRCRDK-UHFFFAOYSA-N
XLogP1.53
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10118930, Example 289
CID 137018651
US10118930, Example 83
CID 137018276
US10118930, Example 92
CID 137018339
US10118930, Example 282
CID 137018426
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
US10118930, Example 275
CID 137018637
US10118930, Example 294
CID 137018646
US10118930, Example 182
CID 137018699

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018734) is 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CN4CCCCC4)o3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BIKKFYNZDRCRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c27-16-10-15(13-4-6-20-7-5-13)26-18(22-16)14(11-21-26)19-24-23-17(28-19)12-25-8-2-1-3-9-25/h10-11,13,20H,1-9,12H2,(H,22,27).
What are the key properties of 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 383.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).