methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate

C18H23N3O4 — CID 56894737

IUPACmethyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate
SMILESCCC1c2cccn2CCN1CC(=O)NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C18H23N3O4/c1-3-14-15-5-4-8-20(15)9-10-21(14)12-17(22)19-11-13-6-7-16(25-13)18(23)24-2/h4-8,14H,3,9-12H2,1-2H3,(H,19,22)
InChIKeyKGTREOQMYJBVLO-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.95
Rot. Bonds6

About methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate (PubChem CID 56894737) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate
PubChem CID56894737
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate
SMILESCCC1c2cccn2CCN1CC(=O)NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C18H23N3O4/c1-3-14-15-5-4-8-20(15)9-10-21(14)12-17(22)19-11-13-6-7-16(25-13)18(23)24-2/h4-8,14H,3,9-12H2,1-2H3,(H,19,22)
InChIKeyKGTREOQMYJBVLO-UHFFFAOYSA-N
XLogP1.95
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate (CID 56894737) is methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate is CCC1c2cccn2CCN1CC(=O)NCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate?
The InChIKey is KGTREOQMYJBVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-14-15-5-4-8-20(15)9-10-21(14)12-17(22)19-11-13-6-7-16(25-13)18(23)24-2/h4-8,14H,3,9-12H2,1-2H3,(H,19,22).
What are the key properties of methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 56894737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).