N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

C21H25N5O4 — CID 70725796

IUPACN-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCC(N)=O)nc2c1=O
InChIInChI=1S/C21H25N5O4/c1-12(2)6-8-26-17(15-9-13(3)30-14(15)4)11-25-10-16(24-19(25)21(26)29)20(28)23-7-5-18(22)27/h6,9-11H,5,7-8H2,1-4H3,(H2,22,27)(H,23,28)
InChIKeyRDKBPRVUYVUPQW-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.94
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70725796) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70725796
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCC(N)=O)nc2c1=O
InChIInChI=1S/C21H25N5O4/c1-12(2)6-8-26-17(15-9-13(3)30-14(15)4)11-25-10-16(24-19(25)21(26)29)20(28)23-7-5-18(22)27/h6,9-11H,5,7-8H2,1-4H3,(H2,22,27)(H,23,28)
InChIKeyRDKBPRVUYVUPQW-UHFFFAOYSA-N
XLogP1.94
TPSA124.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (CID 70725796) is N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCC(N)=O)nc2c1=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is RDKBPRVUYVUPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-12(2)6-8-26-17(15-9-13(3)30-14(15)4)11-25-10-16(24-19(25)21(26)29)20(28)23-7-5-18(22)27/h6,9-11H,5,7-8H2,1-4H3,(H2,22,27)(H,23,28).
What are the key properties of N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-6-(2,5-dimethylfuran-3-yl)-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).