2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C21H25N7O2S — CID 118473092

IUPAC2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC3(CC3)C(O)C2)n1
InChIInChI=1S/C21H25N7O2S/c29-16-12-28(8-4-21(16)2-3-21)20-25-15(13-31-20)19(30)24-14-1-7-27(11-14)18-17-22-5-9-26(17)10-6-23-18/h5-6,9-10,13-14,16,29H,1-4,7-8,11-12H2,(H,24,30)/t14-,16?/m0/s1
InChIKeyZSTHQPJYYFLLDT-LBAUFKAWSA-N
MW439.55 g/mol
LogP1.55
Rot. Bonds4

About 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118473092) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID118473092
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC Name2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC3(CC3)C(O)C2)n1
InChIInChI=1S/C21H25N7O2S/c29-16-12-28(8-4-21(16)2-3-21)20-25-15(13-31-20)19(30)24-14-1-7-27(11-14)18-17-22-5-9-26(17)10-6-23-18/h5-6,9-10,13-14,16,29H,1-4,7-8,11-12H2,(H,24,30)/t14-,16?/m0/s1
InChIKeyZSTHQPJYYFLLDT-LBAUFKAWSA-N
XLogP1.55
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxylic acid;(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 159453297
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158487406
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192059
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90187382
N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95051461
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
CID 123305419
N-[(3S)-1-(3-ethylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;1-(4-fluorophenyl)-N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyridazine-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 159927467
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 118473092) is 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC3(CC3)C(O)C2)n1.
What is the InChIKey of 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSTHQPJYYFLLDT-LBAUFKAWSA-N. The full InChI is InChI=1S/C21H25N7O2S/c29-16-12-28(8-4-21(16)2-3-21)20-25-15(13-31-20)19(30)24-14-1-7-27(11-14)18-17-22-5-9-26(17)10-6-23-18/h5-6,9-10,13-14,16,29H,1-4,7-8,11-12H2,(H,24,30)/t14-,16?/m0/s1.
What are the key properties of 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118473092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).