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

C14H17N7O2 — CID 137018352

IUPAC3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESNCc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C14H17N7O2/c15-6-11-18-14(23-20-11)9-7-17-21-10(5-12(22)19-13(9)21)8-1-3-16-4-2-8/h5,7-8,16H,1-4,6,15H2,(H,19,22)
InChIKeyIVQOWNCRNAIPCZ-UHFFFAOYSA-N
MW315.34 g/mol
LogP-0.00
Rot. Bonds3

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

3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018352) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018352
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESNCc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C14H17N7O2/c15-6-11-18-14(23-20-11)9-7-17-21-10(5-12(22)19-13(9)21)8-1-3-16-4-2-8/h5,7-8,16H,1-4,6,15H2,(H,19,22)
InChIKeyIVQOWNCRNAIPCZ-UHFFFAOYSA-N
XLogP-0.00
TPSA127.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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 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 105
CID 137018264
US10118930, Example 107
CID 137018266
US10118930, Example 108
CID 137018269
US10118930, Example 83
CID 137018276
US10118930, Example 191
CID 137018281
US10118930, Example 262
CID 137018310

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018352) is 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is NCc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IVQOWNCRNAIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c15-6-11-18-14(23-20-11)9-7-17-21-10(5-12(22)19-13(9)21)8-1-3-16-4-2-8/h5,7-8,16H,1-4,6,15H2,(H,19,22).
What are the key properties of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 315.34 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).