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

C17H22N6O2 — CID 137018329

IUPAC2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(C)C)no1
InChIInChI=1S/C17H22N6O2/c1-9(2)15-20-17(25-22-15)14-10(3)21-23-12(8-13(24)19-16(14)23)11-4-6-18-7-5-11/h8-9,11,18H,4-7H2,1-3H3,(H,19,24)
InChIKeyNUDDAPYNPGOOAN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds3

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

2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018329) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018329
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(C)C)no1
InChIInChI=1S/C17H22N6O2/c1-9(2)15-20-17(25-22-15)14-10(3)21-23-12(8-13(24)19-16(14)23)11-4-6-18-7-5-11/h8-9,11,18H,4-7H2,1-3H3,(H,19,24)
InChIKeyNUDDAPYNPGOOAN-UHFFFAOYSA-N
XLogP1.97
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-7-piperidin-4-yl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 155537049
US10118930, Example 341
CID 137018348
US10118930, Example 192
CID 137018727
US10118930, Example 105
CID 137018264
US10118930, Example 107
CID 137018266
US10118930, Example 108
CID 137018269
US10118930, Example 212
CID 137018352
US10118930, Example 302
CID 137018446
US10118930, Example 206
CID 137018458
US10118930, Example 34
CID 137018524
US10118930, Example 338
CID 137018533
US10118930, Example 378
CID 137018593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018329) is 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C(C)C)no1.
What is the InChIKey of 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NUDDAPYNPGOOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-9(2)15-20-17(25-22-15)14-10(3)21-23-12(8-13(24)19-16(14)23)11-4-6-18-7-5-11/h8-9,11,18H,4-7H2,1-3H3,(H,19,24).
What are the key properties of 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 342.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-piperidin-4-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).