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

C20H26N6O2 — CID 137018699

IUPAC3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC4CCCCC4)o3)c2[nH]1
InChIInChI=1S/C20H26N6O2/c27-17-11-16(14-6-8-21-9-7-14)26-19(23-17)15(12-22-26)20-25-24-18(28-20)10-13-4-2-1-3-5-13/h11-14,21H,1-10H2,(H,23,27)
InChIKeyMLUBSSFPSYNYQP-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.66
Rot. Bonds4

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

3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018699) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018699
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC4CCCCC4)o3)c2[nH]1
InChIInChI=1S/C20H26N6O2/c27-17-11-16(14-6-8-21-9-7-14)26-19(23-17)15(12-22-26)20-25-24-18(28-20)10-13-4-2-1-3-5-13/h11-14,21H,1-10H2,(H,23,27)
InChIKeyMLUBSSFPSYNYQP-UHFFFAOYSA-N
XLogP2.66
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 289
CID 137018651
US10118930, Example 282
CID 137018426
US10118930, Example 165
CID 137018489
US10118930, Example 173
CID 137018525
US10118930, Example 174
CID 137018603
US10118930, Example 293
CID 137018628
US10118930, Example 294
CID 137018646
US10118930, Example 177
CID 137018722
US10118930, Example 281
CID 137018733
US10118930, Example 291
CID 137018734
US10118930, Example 292
CID 137018742
US10118930, Example 295
CID 137026024

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018699) is 3-[5-(cyclohexylmethyl)-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-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC4CCCCC4)o3)c2[nH]1.
What is the InChIKey of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MLUBSSFPSYNYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-17-11-16(14-6-8-21-9-7-14)26-19(23-17)15(12-22-26)20-25-24-18(28-20)10-13-4-2-1-3-5-13/h11-14,21H,1-10H2,(H,23,27).
What are the key properties of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 382.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).