methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate

C20H22FN3O4 — CID 24829805

IUPACmethyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN3O4/c1-20(2,19(26)27-3)24-17(25)15-10-22-18(28-11-12-4-5-12)16(23-15)13-6-8-14(21)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyYEFCHSFKVXCXBH-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.75
Rot. Bonds7

About methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 24829805) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID24829805
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Namemethyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN3O4/c1-20(2,19(26)27-3)24-17(25)15-10-22-18(28-11-12-4-5-12)16(23-15)13-6-8-14(21)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyYEFCHSFKVXCXBH-UHFFFAOYSA-N
XLogP2.75
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate (CID 24829805) is methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is YEFCHSFKVXCXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-20(2,19(26)27-3)24-17(25)15-10-22-18(28-11-12-4-5-12)16(23-15)13-6-8-14(21)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,24,25).
What are the key properties of methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 387.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 24829805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).