(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one

C14H14N4O2 — CID 11000107

IUPAC(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one
SMILESCCN1C(=O)/C(=C\c2ccc3nccn3c2)N=C1OC
InChIInChI=1S/C14H14N4O2/c1-3-18-13(19)11(16-14(18)20-2)8-10-4-5-12-15-6-7-17(12)9-10/h4-9H,3H2,1-2H3/b11-8+
InChIKeyJYSCPXPVWIZCNP-DHZHZOJOSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds2

About (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one

(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one (PubChem CID 11000107) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one
PubChem CID11000107
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one
SMILESCCN1C(=O)/C(=C\c2ccc3nccn3c2)N=C1OC
InChIInChI=1S/C14H14N4O2/c1-3-18-13(19)11(16-14(18)20-2)8-10-4-5-12-15-6-7-17(12)9-10/h4-9H,3H2,1-2H3/b11-8+
InChIKeyJYSCPXPVWIZCNP-DHZHZOJOSA-N
XLogP1.54
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
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 (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one?
The IUPAC name of (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one (CID 11000107) is (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one?
The canonical SMILES for (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one is CCN1C(=O)/C(=C\c2ccc3nccn3c2)N=C1OC.
What is the InChIKey of (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one?
The InChIKey is JYSCPXPVWIZCNP-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-18-13(19)11(16-14(18)20-2)8-10-4-5-12-15-6-7-17(12)9-10/h4-9H,3H2,1-2H3/b11-8+.
What are the key properties of (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one?
(5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(imidazo[1,2-a]pyridin-6-ylmethylidene)-2-methoxyimidazol-4-one is sourced from PubChem (CID 11000107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).