(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

C₃₄H₂₅N₉O₃ — CID 158219493

About (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (PubChem CID 158219493) has the molecular formula C₃₄H₂₅N₉O₃ and a molecular weight of 607.63 g/mol. Its IUPAC name is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

• Compound Name: (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
• PubChem CID: 158219493
• Molecular Formula: C₃₄H₂₅N₉O₃
• Molecular Weight: 607.63 g/mol
• Exact Mass: 607.21
• IUPAC Name: (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
• SMILES: Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1
• InChI: InChI=1S/C17H13N5O.C17H12N4O2/c1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H2,19,23);2-7,9-10H,1H3,(H,22,23)/b2*15-7+
• InChIKey: GDBLPQHVYFVUOQ-QAMCWTPTSA-N
• XLogP: 4.47
• TPSA: 188.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.63
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?

The IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (CID 158219493) is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

What is the SMILES notation for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?

The canonical SMILES for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1.

What is the InChIKey of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?

The InChIKey is GDBLPQHVYFVUOQ-QAMCWTPTSA-N. The full InChI is InChI=1S/C17H13N5O.C17H12N4O2/c1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H2,19,23);2-7,9-10H,1H3,(H,22,23)/b2*15-7+.

What are the key properties of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?

(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid has a molecular weight of 607.63 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 158219493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158219493 — identifiers, structure, computed properties (public domain)

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