(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

C17H17N5O2 — CID 122705521

IUPAC(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCOc1cc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc(C)n1
InChIInChI=1S/C17H17N5O2/c1-3-24-15-7-12(6-10(2)21-15)13-9-20-17-16(22-13)11(8-19-17)4-5-14(18)23/h4-9H,3H2,1-2H3,(H2,18,23)(H,19,20)/b5-4+
InChIKeyPREHQQWVHUKILB-SNAWJCMRSA-N
MW323.36 g/mol
LogP2.23
Rot. Bonds5

About (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 122705521) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID122705521
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCOc1cc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc(C)n1
InChIInChI=1S/C17H17N5O2/c1-3-24-15-7-12(6-10(2)21-15)13-9-20-17-16(22-13)11(8-19-17)4-5-14(18)23/h4-9H,3H2,1-2H3,(H2,18,23)(H,19,20)/b5-4+
InChIKeyPREHQQWVHUKILB-SNAWJCMRSA-N
XLogP2.23
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 122705521) is (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is CCOc1cc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc(C)n1.
What is the InChIKey of (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is PREHQQWVHUKILB-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-24-15-7-12(6-10(2)21-15)13-9-20-17-16(22-13)11(8-19-17)4-5-14(18)23/h4-9H,3H2,1-2H3,(H2,18,23)(H,19,20)/b5-4+.
What are the key properties of (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 323.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 122705521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).