(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide

C15H16N4O2 — CID 118267780

IUPAC(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
SMILESCC(C)Oc1ccnc2[nH]cc(C/C=C(\C#N)C(N)=O)c12
InChIInChI=1S/C15H16N4O2/c1-9(2)21-12-5-6-18-15-13(12)11(8-19-15)4-3-10(7-16)14(17)20/h3,5-6,8-9H,4H2,1-2H3,(H2,17,20)(H,18,19)/b10-3+
InChIKeyZUGFZQPTFUJJLB-XCVCLJGOSA-N
MW284.32 g/mol
LogP1.83
Rot. Bonds5

About (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide

(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide (PubChem CID 118267780) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
PubChem CID118267780
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
SMILESCC(C)Oc1ccnc2[nH]cc(C/C=C(\C#N)C(N)=O)c12
InChIInChI=1S/C15H16N4O2/c1-9(2)21-12-5-6-18-15-13(12)11(8-19-15)4-3-10(7-16)14(17)20/h3,5-6,8-9H,4H2,1-2H3,(H2,17,20)(H,18,19)/b10-3+
InChIKeyZUGFZQPTFUJJLB-XCVCLJGOSA-N
XLogP1.83
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide?
The IUPAC name of (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide (CID 118267780) is (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide.
What is the SMILES notation for (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide?
The canonical SMILES for (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide is CC(C)Oc1ccnc2[nH]cc(C/C=C(\C#N)C(N)=O)c12.
What is the InChIKey of (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide?
The InChIKey is ZUGFZQPTFUJJLB-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)21-12-5-6-18-15-13(12)11(8-19-15)4-3-10(7-16)14(17)20/h3,5-6,8-9H,4H2,1-2H3,(H2,17,20)(H,18,19)/b10-3+.
What are the key properties of (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide?
(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide has a molecular weight of 284.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide is sourced from PubChem (CID 118267780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).