ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate

C20H29FN4O4 — CID 146289348

IUPACethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1cnc(N2CC(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H29FN4O4/c1-4-20(5-2,19(27)28-6-3)24-17(26)15-9-22-16(25-10-14(21)11-25)18(23-15)29-12-13-7-8-13/h9,13-14H,4-8,10-12H2,1-3H3,(H,24,26)
InChIKeyAGVNBDMCWXCYGG-UHFFFAOYSA-N
MW408.47 g/mol
LogP2.28
Rot. Bonds10

About ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate

ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 146289348) has the molecular formula C20H29FN4O4 and a molecular weight of 408.47 g/mol. Its IUPAC name is ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID146289348
Molecular FormulaC20H29FN4O4
Molecular Weight408.47 g/mol
Exact Mass408.22
IUPAC Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1cnc(N2CC(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H29FN4O4/c1-4-20(5-2,19(27)28-6-3)24-17(26)15-9-22-16(25-10-14(21)11-25)18(23-15)29-12-13-7-8-13/h9,13-14H,4-8,10-12H2,1-3H3,(H,24,26)
InChIKeyAGVNBDMCWXCYGG-UHFFFAOYSA-N
XLogP2.28
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate with MolForge

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Related Compounds

ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 122179281
ethyl 2-[[6-(cyclopropylmethoxy)-5-[3-(2,2-dideuterio-2-fluoroethyl)azetidin-1-yl]pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 155682102
ethyl 2-[[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 71087840
3-fluoropropyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 150028494
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 90203812
ethyl 2-[[6-[[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 156677543
6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 141364887
ethyl 2-ethyl-2-[[6-[(1-fluorocyclopropyl)methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 146289213
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-methyl-4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 71526660
ethyl 2-[[6-[[(1S,2S)-2-[(2,2-dideuterio-2-fluoroethoxy)methyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 171472425
N-(1-cyclopropyl-3-hydroxy-3-methylbutan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 78098364
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate (CID 146289348) is ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)NC(=O)c1cnc(N2CC(F)C2)c(OCC2CC2)n1.
What is the InChIKey of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is AGVNBDMCWXCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O4/c1-4-20(5-2,19(27)28-6-3)24-17(26)15-9-22-16(25-10-14(21)11-25)18(23-15)29-12-13-7-8-13/h9,13-14H,4-8,10-12H2,1-3H3,(H,24,26).
What are the key properties of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate?
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 408.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 146289348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).