1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine

C26H28N4O — CID 129190600

IUPAC1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine
SMILESCCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cccc(C2=C(C)C2C)c1
InChIInChI=1S/C26H28N4O/c1-6-31-26-29(21-9-7-8-20(15-21)23-18(4)19(23)5)24-25(28-11-10-27-24)30(26)22-13-16(2)12-17(3)14-22/h7-15,18,26H,6H2,1-5H3
InChIKeyUFKBTOHALWVUAH-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.13
Rot. Bonds5

About 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine

1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine (PubChem CID 129190600) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine
PubChem CID129190600
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine
SMILESCCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cccc(C2=C(C)C2C)c1
InChIInChI=1S/C26H28N4O/c1-6-31-26-29(21-9-7-8-20(15-21)23-18(4)19(23)5)24-25(28-11-10-27-24)30(26)22-13-16(2)12-17(3)14-22/h7-15,18,26H,6H2,1-5H3
InChIKeyUFKBTOHALWVUAH-UHFFFAOYSA-N
XLogP6.13
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine (CID 129190600) is 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine is CCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cccc(C2=C(C)C2C)c1.
What is the InChIKey of 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine?
The InChIKey is UFKBTOHALWVUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-6-31-26-29(21-9-7-8-20(15-21)23-18(4)19(23)5)24-25(28-11-10-27-24)30(26)22-13-16(2)12-17(3)14-22/h7-15,18,26H,6H2,1-5H3.
What are the key properties of 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine?
1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine has a molecular weight of 412.54 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylcyclopropen-1-yl)phenyl]-3-(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 129190600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).