ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate

C23H19FN6O2 — CID 137372414

IUPACethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1
InChIInChI=1S/C23H19FN6O2/c1-3-32-23(31)17-11-30-20(14-6-9-16-18(10-14)29(2)12-26-16)19(28-21(25)22(30)27-17)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3,(H2,25,28)
InChIKeyKFXHNCLMCAJPDO-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.85
Rot. Bonds4

About ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 137372414) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID137372414
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Nameethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1
InChIInChI=1S/C23H19FN6O2/c1-3-32-23(31)17-11-30-20(14-6-9-16-18(10-14)29(2)12-26-16)19(28-21(25)22(30)27-17)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3,(H2,25,28)
InChIKeyKFXHNCLMCAJPDO-UHFFFAOYSA-N
XLogP3.85
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate (CID 137372414) is ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1.
What is the InChIKey of ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is KFXHNCLMCAJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-3-32-23(31)17-11-30-20(14-6-9-16-18(10-14)29(2)12-26-16)19(28-21(25)22(30)27-17)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3,(H2,25,28).
What are the key properties of ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 430.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 137372414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).