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

C19H22F2N6O2 — CID 137018596

IUPAC3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCC(F)(F)CC4)n3)c2[nH]1
InChIInChI=1S/C19H22F2N6O2/c20-19(21)5-1-12(2-6-19)18-25-16(26-29-18)13-10-23-27-14(9-15(28)24-17(13)27)11-3-7-22-8-4-11/h9-12,22H,1-8H2,(H,24,28)
InChIKeyZPZSIYJXDHZUBN-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.83
Rot. Bonds3

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

3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018596) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018596
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC Name3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCC(F)(F)CC4)n3)c2[nH]1
InChIInChI=1S/C19H22F2N6O2/c20-19(21)5-1-12(2-6-19)18-25-16(26-29-18)13-10-23-27-14(9-15(28)24-17(13)27)11-3-7-22-8-4-11/h9-12,22H,1-8H2,(H,24,28)
InChIKeyZPZSIYJXDHZUBN-UHFFFAOYSA-N
XLogP2.83
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US10118930, Example 388
CID 137018434
US10118930, Example 391
CID 137018475
US10118930, Example 392
CID 137018681
US10118930, Example 192
CID 137018727
US10118930, Example 390
CID 137018754
US10118930, Example 262
CID 137018310
US10118930, Example 257
CID 137018314
US10118930, Example 387
CID 137018344
US10118930, Example 256
CID 137018391
US10118930, Example 385
CID 137018399
US10118930, Example 384
CID 137018449
US10118930, Example 34
CID 137018524

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018596) is 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCC(F)(F)CC4)n3)c2[nH]1.
What is the InChIKey of 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ZPZSIYJXDHZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c20-19(21)5-1-12(2-6-19)18-25-16(26-29-18)13-10-23-27-14(9-15(28)24-17(13)27)11-3-7-22-8-4-11/h9-12,22H,1-8H2,(H,24,28).
What are the key properties of 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 404.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).