N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide

C15H17N5O — CID 118133346

IUPACN-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@]12CC1CN(c1cnc3[nH]ccc3n1)C2
InChIInChI=1S/C15H17N5O/c1-2-13(21)18-8-15-5-10(15)7-20(9-15)12-6-17-14-11(19-12)3-4-16-14/h2-4,6,10H,1,5,7-9H2,(H,16,17)(H,18,21)/t10?,15-/m1/s1
InChIKeyCAYWZKXSRSNXQZ-GENIYJEYSA-N
MW283.33 g/mol
LogP1.09
Rot. Bonds4

About N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide

N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide (PubChem CID 118133346) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide
PubChem CID118133346
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@]12CC1CN(c1cnc3[nH]ccc3n1)C2
InChIInChI=1S/C15H17N5O/c1-2-13(21)18-8-15-5-10(15)7-20(9-15)12-6-17-14-11(19-12)3-4-16-14/h2-4,6,10H,1,5,7-9H2,(H,16,17)(H,18,21)/t10?,15-/m1/s1
InChIKeyCAYWZKXSRSNXQZ-GENIYJEYSA-N
XLogP1.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide (CID 118133346) is N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@@]12CC1CN(c1cnc3[nH]ccc3n1)C2.
What is the InChIKey of N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide?
The InChIKey is CAYWZKXSRSNXQZ-GENIYJEYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-13(21)18-8-15-5-10(15)7-20(9-15)12-6-17-14-11(19-12)3-4-16-14/h2-4,6,10H,1,5,7-9H2,(H,16,17)(H,18,21)/t10?,15-/m1/s1.
What are the key properties of N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide?
N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]prop-2-enamide is sourced from PubChem (CID 118133346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).