N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide

C18H20N4O3S — CID 70720046

IUPACN-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cccs2)cn2cc(C(=O)NC(CC)CO)nc2c1=O
InChIInChI=1S/C18H20N4O3S/c1-3-7-22-14(15-6-5-8-26-15)10-21-9-13(20-16(21)18(22)25)17(24)19-12(4-2)11-23/h3,5-6,8-10,12,23H,1,4,7,11H2,2H3,(H,19,24)
InChIKeyJYGDWADXZOGZTQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.91
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide

N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70720046) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70720046
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2cccs2)cn2cc(C(=O)NC(CC)CO)nc2c1=O
InChIInChI=1S/C18H20N4O3S/c1-3-7-22-14(15-6-5-8-26-15)10-21-9-13(20-16(21)18(22)25)17(24)19-12(4-2)11-23/h3,5-6,8-10,12,23H,1,4,7,11H2,2H3,(H,19,24)
InChIKeyJYGDWADXZOGZTQ-UHFFFAOYSA-N
XLogP1.91
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-thiophen-2-yl-5H-imidazo[1,2-a]purin-9-one
CID 44245063
3-(2-hydroxyethoxymethyl)-6-thiophen-2-yl-5H-imidazo[1,2-a]purin-9-one
CID 44140464
N-(sec-butyl)-N-[(3-methyl-2-thienyl)methyl]-1H-imidazole-5-carboxamide
CID 50968638
N,N-dimethyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468752
3-(4-hydroxybutyl)-6-thiophen-2-yl-5H-imidazo[1,2-a]purin-9-one
CID 155517907
N-[2-(1-Cyclobutyl-5-methyl-1H-imidazol-2-YL)ethyl]thiophene-2-carboxamide
CID 124078521
N-[1-(2-thienyl)propyl]-5,6-dihydro-8H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
CID 53167870
N-[1-(Thiophen-2-YL)propyl]-5H,6H,7H,8H-imidazo[1,2-A]pyridine-2-carboxamide
CID 53167921
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 53181538
1-(1-Acetyl-4-piperidyl)-2,5-dimethyl-N~4~-(2-thienylmethyl)-1H-imidazole-4-carboxamide
CID 53181631
7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylcarbonyl)-6-(2-thienyl)imidazo[1,2-a]pyrazin-8(7H)-one
CID 70722504
7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-(2-thienyl)-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 70766692

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70720046) is N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2cccs2)cn2cc(C(=O)NC(CC)CO)nc2c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is JYGDWADXZOGZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-7-22-14(15-6-5-8-26-15)10-21-9-13(20-16(21)18(22)25)17(24)19-12(4-2)11-23/h3,5-6,8-10,12,23H,1,4,7,11H2,2H3,(H,19,24).
What are the key properties of N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-8-oxo-7-prop-2-enyl-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70720046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).