[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone

C14H15BrN4O — CID 138011959

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1cnn3cccc(Br)c13)C2
InChIInChI=1S/C14H15BrN4O/c15-11-2-1-5-19-12(11)10(6-17-19)13(20)18-7-9-3-4-14(9,16)8-18/h1-2,5-6,9H,3-4,7-8,16H2/t9-,14-/m0/s1
InChIKeyRLDFLQZNWGPNEJ-XPTSAGLGSA-N
MW335.21 g/mol
LogP1.66
Rot. Bonds1

About [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 138011959) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID138011959
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1cnn3cccc(Br)c13)C2
InChIInChI=1S/C14H15BrN4O/c15-11-2-1-5-19-12(11)10(6-17-19)13(20)18-7-9-3-4-14(9,16)8-18/h1-2,5-6,9H,3-4,7-8,16H2/t9-,14-/m0/s1
InChIKeyRLDFLQZNWGPNEJ-XPTSAGLGSA-N
XLogP1.66
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone (CID 138011959) is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone is N[C@]12CC[C@H]1CN(C(=O)c1cnn3cccc(Br)c13)C2.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is RLDFLQZNWGPNEJ-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-11-2-1-5-19-12(11)10(6-17-19)13(20)18-7-9-3-4-14(9,16)8-18/h1-2,5-6,9H,3-4,7-8,16H2/t9-,14-/m0/s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone?
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 335.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 138011959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).