methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate

C20H16FN5O2 — CID 146386552

IUPACmethyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C20H16FN5O2/c1-11-9-23-15-7-6-13(10-26(11)15)17-16(12-4-3-5-14(21)8-12)25-19(22)18(24-17)20(27)28-2/h3-10H,1-2H3,(H2,22,25)
InChIKeyCUHNYKDTXDBTSM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.27
Rot. Bonds3

About methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate

methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate (PubChem CID 146386552) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate
PubChem CID146386552
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Namemethyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C20H16FN5O2/c1-11-9-23-15-7-6-13(10-26(11)15)17-16(12-4-3-5-14(21)8-12)25-19(22)18(24-17)20(27)28-2/h3-10H,1-2H3,(H2,22,25)
InChIKeyCUHNYKDTXDBTSM-UHFFFAOYSA-N
XLogP3.27
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate (CID 146386552) is methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2cccc(F)c2)nc1N.
What is the InChIKey of methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate?
The InChIKey is CUHNYKDTXDBTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-11-9-23-15-7-6-13(10-26(11)15)17-16(12-4-3-5-14(21)8-12)25-19(22)18(24-17)20(27)28-2/h3-10H,1-2H3,(H2,22,25).
What are the key properties of methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate?
methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 146386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).