3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H20BrN7O — CID 21067188

IUPAC3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4ncon4)cc3)cc(C3CCNCC3)nc12
InChIInChI=1S/C20H20BrN7O/c21-16-11-25-28-18(9-17(26-20(16)28)14-5-7-22-8-6-14)23-10-13-1-3-15(4-2-13)19-24-12-29-27-19/h1-4,9,11-12,14,22-23H,5-8,10H2
InChIKeySJQSDLJRZYSLIN-UHFFFAOYSA-N
MW454.33 g/mol
LogP3.62
Rot. Bonds5

About 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067188) has the molecular formula C20H20BrN7O and a molecular weight of 454.33 g/mol. Its IUPAC name is 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067188
Molecular FormulaC20H20BrN7O
Molecular Weight454.33 g/mol
Exact Mass453.09
IUPAC Name3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4ncon4)cc3)cc(C3CCNCC3)nc12
InChIInChI=1S/C20H20BrN7O/c21-16-11-25-28-18(9-17(26-20(16)28)14-5-7-22-8-6-14)23-10-13-1-3-15(4-2-13)19-24-12-29-27-19/h1-4,9,11-12,14,22-23H,5-8,10H2
InChIKeySJQSDLJRZYSLIN-UHFFFAOYSA-N
XLogP3.62
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 21067188) is 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc(-c4ncon4)cc3)cc(C3CCNCC3)nc12.
What is the InChIKey of 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SJQSDLJRZYSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN7O/c21-16-11-25-28-18(9-17(26-20(16)28)14-5-7-22-8-6-14)23-10-13-1-3-15(4-2-13)19-24-12-29-27-19/h1-4,9,11-12,14,22-23H,5-8,10H2.
What are the key properties of 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 454.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).