N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide

C13H15N5O — CID 118116204

IUPACN-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCN(c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C13H15N5O/c1-2-12(19)16-9-4-6-18(8-9)11-7-15-13-10(17-11)3-5-14-13/h2-3,5,7,9H,1,4,6,8H2,(H,14,15)(H,16,19)/t9-/m0/s1
InChIKeyYFIARRBEZFDFNO-VIFPVBQESA-N
MW257.30 g/mol
LogP0.84
Rot. Bonds3

About N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide

N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 118116204) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID118116204
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCN(c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C13H15N5O/c1-2-12(19)16-9-4-6-18(8-9)11-7-15-13-10(17-11)3-5-14-13/h2-3,5,7,9H,1,4,6,8H2,(H,14,15)(H,16,19)/t9-/m0/s1
InChIKeyYFIARRBEZFDFNO-VIFPVBQESA-N
XLogP0.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide (CID 118116204) is N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1CCN(c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is YFIARRBEZFDFNO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-12(19)16-9-4-6-18(8-9)11-7-15-13-10(17-11)3-5-14-13/h2-3,5,7,9H,1,4,6,8H2,(H,14,15)(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide?
N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 257.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 118116204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).