6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C19H22N4O4 — CID 95871310

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NC[C@@H](C)O)nc2c1=O
InChIInChI=1S/C19H22N4O4/c1-5-6-23-16(14-7-12(3)27-13(14)4)10-22-9-15(21-17(22)19(23)26)18(25)20-8-11(2)24/h5,7,9-11,24H,1,6,8H2,2-4H3,(H,20,25)/t11-/m1/s1
InChIKeyXOAAWNMDKXWFMQ-LLVKDONJSA-N
MW370.41 g/mol
LogP1.67
Rot. Bonds6

About 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95871310) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID95871310
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NC[C@@H](C)O)nc2c1=O
InChIInChI=1S/C19H22N4O4/c1-5-6-23-16(14-7-12(3)27-13(14)4)10-22-9-15(21-17(22)19(23)26)18(25)20-8-11(2)24/h5,7,9-11,24H,1,6,8H2,2-4H3,(H,20,25)/t11-/m1/s1
InChIKeyXOAAWNMDKXWFMQ-LLVKDONJSA-N
XLogP1.67
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.67
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 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 95871310) is 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NC[C@@H](C)O)nc2c1=O.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XOAAWNMDKXWFMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-5-6-23-16(14-7-12(3)27-13(14)4)10-22-9-15(21-17(22)19(23)26)18(25)20-8-11(2)24/h5,7,9-11,24H,1,6,8H2,2-4H3,(H,20,25)/t11-/m1/s1.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95871310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).