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

C19H24N6O2 — CID 137018676

IUPAC3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CC2(C)C)no1
InChIInChI=1S/C19H24N6O2/c1-10-15(18-22-16(24-27-18)12-9-19(12,2)3)17-21-14(26)8-13(25(17)23-10)11-4-6-20-7-5-11/h8,11-12,20H,4-7,9H2,1-3H3,(H,21,26)
InChIKeyUFYGZKSBTKEGQV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.36
Rot. Bonds3

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

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018676) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018676
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CC2(C)C)no1
InChIInChI=1S/C19H24N6O2/c1-10-15(18-22-16(24-27-18)12-9-19(12,2)3)17-21-14(26)8-13(25(17)23-10)11-4-6-20-7-5-11/h8,11-12,20H,4-7,9H2,1-3H3,(H,21,26)
InChIKeyUFYGZKSBTKEGQV-UHFFFAOYSA-N
XLogP2.36
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018676) is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CC2(C)C)no1.
What is the InChIKey of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UFYGZKSBTKEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-10-15(18-22-16(24-27-18)12-9-19(12,2)3)17-21-14(26)8-13(25(17)23-10)11-4-6-20-7-5-11/h8,11-12,20H,4-7,9H2,1-3H3,(H,21,26).
What are the key properties of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 368.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).