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

C18H22N6O2 — CID 137018602

IUPAC3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1
InChIInChI=1S/C18H22N6O2/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11/h9,11-12,19H,2-8H2,1H3,(H,20,25)
InChIKeyWDIUMXRINCQWEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.12
Rot. Bonds3

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

3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018602) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018602
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1
InChIInChI=1S/C18H22N6O2/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11/h9,11-12,19H,2-8H2,1H3,(H,20,25)
InChIKeyWDIUMXRINCQWEP-UHFFFAOYSA-N
XLogP2.12
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 458
CID 137018404
US10118930, Example 367
CID 137018439
US10118930, Example 461
CID 137018487
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 459
CID 137018703
US10118930, Example 464
CID 137018756
US10118930, Example 460
CID 137025689
US10118930, Example 366
CID 137018304
US10118930, Example 365
CID 137018414
US10118930, Example 468
CID 137018474
US10118930, Example 338
CID 137018533

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018602) is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1.
What is the InChIKey of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WDIUMXRINCQWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11/h9,11-12,19H,2-8H2,1H3,(H,20,25).
What are the key properties of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).