[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H26N6O4 — CID 146052859

IUPAC[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3C)C2)o1
InChIInChI=1S/C21H26N6O4/c1-12-16(13(2)31-24-12)9-15-4-5-18(30-15)21(29)26-6-7-27-19(11-26)22-23-20(27)17-8-14(28)10-25(17)3/h4-5,14,17,28H,6-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyWTHONHQBQFLTKQ-PBHICJAKSA-N
MW426.48 g/mol
LogP1.46
Rot. Bonds4

About [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 146052859) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID146052859
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3C)C2)o1
InChIInChI=1S/C21H26N6O4/c1-12-16(13(2)31-24-12)9-15-4-5-18(30-15)21(29)26-6-7-27-19(11-26)22-23-20(27)17-8-14(28)10-25(17)3/h4-5,14,17,28H,6-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyWTHONHQBQFLTKQ-PBHICJAKSA-N
XLogP1.46
TPSA113.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(3R,5S)-5-[7-[(4-ethylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
CID 154582068
1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone
CID 154582069
(3R,5S)-1-methyl-5-[7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-3-ol
CID 110197782
N-cyclooctyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 20966695
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 92605819
[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-isoquinolin-1-ylmethanone
CID 110203974
(3R,5S)-1-methyl-5-[7-[(4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-3-ol
CID 154578457
N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 35537550
2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214874
[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95833898
(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201232
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 17026424

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 146052859) is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1noc(C)c1Cc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3C)C2)o1.
What is the InChIKey of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is WTHONHQBQFLTKQ-PBHICJAKSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-12-16(13(2)31-24-12)9-15-4-5-18(30-15)21(29)26-6-7-27-19(11-26)22-23-20(27)17-8-14(28)10-25(17)3/h4-5,14,17,28H,6-11H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 426.48 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 146052859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).