(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide

C10H10N4O — CID 5358025

IUPAC(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(N)=O)c2nccnc21
InChIInChI=1S/C10H10N4O/c1-14-6-7(2-3-8(11)15)9-10(14)13-5-4-12-9/h2-6H,1H3,(H2,11,15)/b3-2+
InChIKeyBMPVDHUKDYSYAY-NSCUHMNNSA-N
MW202.22 g/mol
LogP0.47
Rot. Bonds2

About (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide

(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide (PubChem CID 5358025) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide
PubChem CID5358025
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(N)=O)c2nccnc21
InChIInChI=1S/C10H10N4O/c1-14-6-7(2-3-8(11)15)9-10(14)13-5-4-12-9/h2-6H,1H3,(H2,11,15)/b3-2+
InChIKeyBMPVDHUKDYSYAY-NSCUHMNNSA-N
XLogP0.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
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 (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide (CID 5358025) is (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide is Cn1cc(/C=C/C(N)=O)c2nccnc21.
What is the InChIKey of (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide?
The InChIKey is BMPVDHUKDYSYAY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-6-7(2-3-8(11)15)9-10(14)13-5-4-12-9/h2-6H,1H3,(H2,11,15)/b3-2+.
What are the key properties of (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide?
(E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide has a molecular weight of 202.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylpyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide is sourced from PubChem (CID 5358025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).