(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one

C17H20N4O2 — CID 137343036

IUPAC(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESCc1cccc2nc(C(=O)N3C[C@H]4CCCN4C(=O)[C@@H]3C)cn12
InChIInChI=1S/C17H20N4O2/c1-11-5-3-7-15-18-14(10-20(11)15)17(23)21-9-13-6-4-8-19(13)16(22)12(21)2/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyXRMJWNVVIJEDDV-QWHCGFSZSA-N
MW312.37 g/mol
LogP1.48
Rot. Bonds1

About (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one

(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one (PubChem CID 137343036) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
PubChem CID137343036
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESCc1cccc2nc(C(=O)N3C[C@H]4CCCN4C(=O)[C@@H]3C)cn12
InChIInChI=1S/C17H20N4O2/c1-11-5-3-7-15-18-14(10-20(11)15)17(23)21-9-13-6-4-8-19(13)16(22)12(21)2/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyXRMJWNVVIJEDDV-QWHCGFSZSA-N
XLogP1.48
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one with MolForge

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Related Compounds

(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56821890
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
1-[(1S,4R,9S,10R)-10-methyl-3-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]ethanone
CID 110141603
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124983474
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 94102823
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 116636500
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 154750172
1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 138992055

Frequently Asked Questions

What is the IUPAC name of (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one (CID 137343036) is (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one is Cc1cccc2nc(C(=O)N3C[C@H]4CCCN4C(=O)[C@@H]3C)cn12.
What is the InChIKey of (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is XRMJWNVVIJEDDV-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-5-3-7-15-18-14(10-20(11)15)17(23)21-9-13-6-4-8-19(13)16(22)12(21)2/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 312.37 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 137343036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).