7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C17H17FN4O2 — CID 134790540

IUPAC7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H17FN4O2/c1-2-7-19-16(23)14-10-21-8-9-22(11-15(21)20-14)17(24)12-5-3-4-6-13(12)18/h2-6,10H,1,7-9,11H2,(H,19,23)
InChIKeyFXAJSWGFZMRPFL-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.59
Rot. Bonds4

About 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 134790540) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID134790540
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H17FN4O2/c1-2-7-19-16(23)14-10-21-8-9-22(11-15(21)20-14)17(24)12-5-3-4-6-13(12)18/h2-6,10H,1,7-9,11H2,(H,19,23)
InChIKeyFXAJSWGFZMRPFL-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[2-(morpholine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 134790235
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094041
N-(3-phenylpropyl)-7-(1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155917182
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110446
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 51583258
5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134787719
(2R)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 16671248
6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84575175
N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874609

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 134790540) is 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is C=CCNC(=O)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FXAJSWGFZMRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-2-7-19-16(23)14-10-21-8-9-22(11-15(21)20-14)17(24)12-5-3-4-6-13(12)18/h2-6,10H,1,7-9,11H2,(H,19,23).
What are the key properties of 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 134790540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).