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

C22H17F4N5O2 — CID 137372642

IUPACethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1
InChIInChI=1S/C22H17F4N5O2/c1-3-33-21(32)15-10-31-18(13-7-11(2)28-16(9-13)22(24,25)26)17(30-19(27)20(31)29-15)12-5-4-6-14(23)8-12/h4-10H,3H2,1-2H3,(H2,27,30)
InChIKeyQOIKWCMULWIUTQ-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.68
Rot. Bonds4

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

ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 137372642) has the molecular formula C22H17F4N5O2 and a molecular weight of 459.40 g/mol. Its IUPAC name is ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID137372642
Molecular FormulaC22H17F4N5O2
Molecular Weight459.40 g/mol
Exact Mass459.13
IUPAC Nameethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1
InChIInChI=1S/C22H17F4N5O2/c1-3-33-21(32)15-10-31-18(13-7-11(2)28-16(9-13)22(24,25)26)17(30-19(27)20(31)29-15)12-5-4-6-14(23)8-12/h4-10H,3H2,1-2H3,(H2,27,30)
InChIKeyQOIKWCMULWIUTQ-UHFFFAOYSA-N
XLogP4.68
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate (CID 137372642) is ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1.
What is the InChIKey of ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is QOIKWCMULWIUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2/c1-3-33-21(32)15-10-31-18(13-7-11(2)28-16(9-13)22(24,25)26)17(30-19(27)20(31)29-15)12-5-4-6-14(23)8-12/h4-10H,3H2,1-2H3,(H2,27,30).
What are the key properties of ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 459.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 137372642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).