methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate

C20H22FN3O4 — CID 68706853

IUPACmethyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1nc(-c2ccc(F)cc2)c(C2CC2)nc1OC
InChIInChI=1S/C20H22FN3O4/c1-20(2,19(26)28-4)24-17(25)16-18(27-3)23-15(11-5-6-11)14(22-16)12-7-9-13(21)10-8-12/h7-11H,5-6H2,1-4H3,(H,24,25)
InChIKeyHFLTXNACOZZICK-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.85
Rot. Bonds6

About methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 68706853) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID68706853
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Namemethyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1nc(-c2ccc(F)cc2)c(C2CC2)nc1OC
InChIInChI=1S/C20H22FN3O4/c1-20(2,19(26)28-4)24-17(25)16-18(27-3)23-15(11-5-6-11)14(22-16)12-7-9-13(21)10-8-12/h7-11H,5-6H2,1-4H3,(H,24,25)
InChIKeyHFLTXNACOZZICK-UHFFFAOYSA-N
XLogP2.85
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate (CID 68706853) is methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1nc(-c2ccc(F)cc2)c(C2CC2)nc1OC.
What is the InChIKey of methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is HFLTXNACOZZICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-20(2,19(26)28-4)24-17(25)16-18(27-3)23-15(11-5-6-11)14(22-16)12-7-9-13(21)10-8-12/h7-11H,5-6H2,1-4H3,(H,24,25).
What are the key properties of methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 387.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-cyclopropyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 68706853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).