[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone

C17H22N4O2 — CID 97492777

IUPAC[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cnc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-12-9-19-14(10-18-12)16(23)21-7-4-17(11-21)8-13(17)15(22)20-5-2-3-6-20/h9-10,13H,2-8,11H2,1H3/t13-,17+/m1/s1
InChIKeyBNRMRTOHLZYYLP-DYVFJYSZSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds2

About [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone

[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97492777) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97492777
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cnc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-12-9-19-14(10-18-12)16(23)21-7-4-17(11-21)8-13(17)15(22)20-5-2-3-6-20/h9-10,13H,2-8,11H2,1H3/t13-,17+/m1/s1
InChIKeyBNRMRTOHLZYYLP-DYVFJYSZSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493284
(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 119043229
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (CID 97492777) is [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is Cc1cnc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)cn1.
What is the InChIKey of [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BNRMRTOHLZYYLP-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-9-19-14(10-18-12)16(23)21-7-4-17(11-21)8-13(17)15(22)20-5-2-3-6-20/h9-10,13H,2-8,11H2,1H3/t13-,17+/m1/s1.
What are the key properties of [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97492777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).