6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one

C19H22N4O4 — CID 70734494

IUPAC6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CCC[C@H]4CO)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C19H22N4O4/c1-11-7-14(12(2)27-11)16-9-22-8-15(20-17(22)19(26)21(16)3)18(25)23-6-4-5-13(23)10-24/h7-9,13,24H,4-6,10H2,1-3H3/t13-/m0/s1
InChIKeyTUGOTYLJVDHNAQ-ZDUSSCGKSA-N
MW370.41 g/mol
LogP1.51
Rot. Bonds3

About 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one

6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one (PubChem CID 70734494) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one
PubChem CID70734494
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CCC[C@H]4CO)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C19H22N4O4/c1-11-7-14(12(2)27-11)16-9-22-8-15(20-17(22)19(26)21(16)3)18(25)23-6-4-5-13(23)10-24/h7-9,13,24H,4-6,10H2,1-3H3/t13-/m0/s1
InChIKeyTUGOTYLJVDHNAQ-ZDUSSCGKSA-N
XLogP1.51
TPSA92.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-7-methyl-N-[(3R)-oxan-3-yl]-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 95897928
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70712054
6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
CID 95869993
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
(2-chloro-6-methylpyrimidin-4-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114219653
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136994537
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 51322251
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one (CID 70734494) is 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one is Cc1cc(-c2cn3cc(C(=O)N4CCC[C@H]4CO)nc3c(=O)n2C)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is TUGOTYLJVDHNAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-7-14(12(2)27-11)16-9-22-8-15(20-17(22)19(26)21(16)3)18(25)23-6-4-5-13(23)10-24/h7-9,13,24H,4-6,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one?
6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 370.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-methylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70734494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).