6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H14BrN7O — CID 71058414

IUPAC6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CNCCO2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H14BrN7O/c14-10-11(9-6-16-1-2-22-9)20-13-8(7-3-17-18-4-7)5-19-21(13)12(10)15/h3-5,9,16H,1-2,6,15H2,(H,17,18)
InChIKeyRIIMRUONARPPHE-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.12
Rot. Bonds2

About 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71058414) has the molecular formula C13H14BrN7O and a molecular weight of 364.21 g/mol. Its IUPAC name is 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71058414
Molecular FormulaC13H14BrN7O
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC Name6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CNCCO2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H14BrN7O/c14-10-11(9-6-16-1-2-22-9)20-13-8(7-3-17-18-4-7)5-19-21(13)12(10)15/h3-5,9,16H,1-2,6,15H2,(H,17,18)
InChIKeyRIIMRUONARPPHE-UHFFFAOYSA-N
XLogP1.12
TPSA106.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71058414) is 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(C2CNCCO2)nc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RIIMRUONARPPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN7O/c14-10-11(9-6-16-1-2-22-9)20-13-8(7-3-17-18-4-7)5-19-21(13)12(10)15/h3-5,9,16H,1-2,6,15H2,(H,17,18).
What are the key properties of 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-morpholin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71058414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).