methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate

C25H25N3O4 — CID 90193725

IUPACmethyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOc1cccc(-c2nccn3c(CCOc4ccc(C)cc4)c(C(=O)OC)nc23)c1
InChIInChI=1S/C25H25N3O4/c1-4-31-20-7-5-6-18(16-20)22-24-27-23(25(29)30-3)21(28(24)14-13-26-22)12-15-32-19-10-8-17(2)9-11-19/h5-11,13-14,16H,4,12,15H2,1-3H3
InChIKeyQFOLZNKZGWZOIT-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.51
Rot. Bonds8

About methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate

methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 90193725) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID90193725
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Namemethyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOc1cccc(-c2nccn3c(CCOc4ccc(C)cc4)c(C(=O)OC)nc23)c1
InChIInChI=1S/C25H25N3O4/c1-4-31-20-7-5-6-18(16-20)22-24-27-23(25(29)30-3)21(28(24)14-13-26-22)12-15-32-19-10-8-17(2)9-11-19/h5-11,13-14,16H,4,12,15H2,1-3H3
InChIKeyQFOLZNKZGWZOIT-UHFFFAOYSA-N
XLogP4.51
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
Ethyl 6-[4-(methoxycarbonyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815687
Methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 4318279
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
Ethyl 11-[(4-methoxyphenyl)methyl]-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 10202697
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate (CID 90193725) is methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate is CCOc1cccc(-c2nccn3c(CCOc4ccc(C)cc4)c(C(=O)OC)nc23)c1.
What is the InChIKey of methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is QFOLZNKZGWZOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-31-20-7-5-6-18(16-20)22-24-27-23(25(29)30-3)21(28(24)14-13-26-22)12-15-32-19-10-8-17(2)9-11-19/h5-11,13-14,16H,4,12,15H2,1-3H3.
What are the key properties of methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate?
methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 90193725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).