2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one

C19H20FN5O2 — CID 70750282

IUPAC2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCC[C@H](N)C3)nc2c1=O
InChIInChI=1S/C19H20FN5O2/c1-23-16(12-4-6-13(20)7-5-12)11-25-10-15(22-17(25)19(23)27)18(26)24-8-2-3-14(21)9-24/h4-7,10-11,14H,2-3,8-9,21H2,1H3/t14-/m0/s1
InChIKeyYVLOKDQVVVGLJZ-AWEZNQCLSA-N
MW369.40 g/mol
LogP1.40
Rot. Bonds2

About 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one

2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one (PubChem CID 70750282) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one
PubChem CID70750282
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCC[C@H](N)C3)nc2c1=O
InChIInChI=1S/C19H20FN5O2/c1-23-16(12-4-6-13(20)7-5-12)11-25-10-15(22-17(25)19(23)27)18(26)24-8-2-3-14(21)9-24/h4-7,10-11,14H,2-3,8-9,21H2,1H3/t14-/m0/s1
InChIKeyYVLOKDQVVVGLJZ-AWEZNQCLSA-N
XLogP1.40
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one with MolForge

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Related Compounds

2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
CID 95895991
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone
CID 150738966
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104437
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one (CID 70750282) is 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one is Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCC[C@H](N)C3)nc2c1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is YVLOKDQVVVGLJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-23-16(12-4-6-13(20)7-5-12)11-25-10-15(22-17(25)19(23)27)18(26)24-8-2-3-14(21)9-24/h4-7,10-11,14H,2-3,8-9,21H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one?
2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 369.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70750282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).