[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

C21H21N7O — CID 164691777

IUPAC[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESC[C@H]1CN(C(=O)c2cnc3cnn(C)c3c2)Cc2nnc(Cc3ccccc3)n21
InChIInChI=1S/C21H21N7O/c1-14-12-27(21(29)16-9-18-17(22-10-16)11-23-26(18)2)13-20-25-24-19(28(14)20)8-15-6-4-3-5-7-15/h3-7,9-11,14H,8,12-13H2,1-2H3/t14-/m0/s1
InChIKeyWMOOQSCEXIBZGL-AWEZNQCLSA-N
MW387.45 g/mol
LogP2.37
Rot. Bonds3

About [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 164691777) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID164691777
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESC[C@H]1CN(C(=O)c2cnc3cnn(C)c3c2)Cc2nnc(Cc3ccccc3)n21
InChIInChI=1S/C21H21N7O/c1-14-12-27(21(29)16-9-18-17(22-10-16)11-23-26(18)2)13-20-25-24-19(28(14)20)8-15-6-4-3-5-7-15/h3-7,9-11,14H,8,12-13H2,1-2H3/t14-/m0/s1
InChIKeyWMOOQSCEXIBZGL-AWEZNQCLSA-N
XLogP2.37
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone
CID 164697566
(6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164690731
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1,3-dimethylindol-2-yl)methanone
CID 164695961
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 164690609
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164699065
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyrazin-2-ylpropan-1-one
CID 164690611
(4-hydroxy-3,5-dimethylphenyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697869
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 164696300
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-phenylphenyl)methanone
CID 164689741
N-benzyl-N-methyl-1-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 162627940
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 157016172
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinoxalin-2-ylmethanone
CID 164688671

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (CID 164691777) is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is C[C@H]1CN(C(=O)c2cnc3cnn(C)c3c2)Cc2nnc(Cc3ccccc3)n21.
What is the InChIKey of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is WMOOQSCEXIBZGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-12-27(21(29)16-9-18-17(22-10-16)11-23-26(18)2)13-20-25-24-19(28(14)20)8-15-6-4-3-5-7-15/h3-7,9-11,14H,8,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 387.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 164691777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).