[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone

C21H21N7O — CID 164697836

IUPAC[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc2cn[nH]c2n1
InChIInChI=1S/C21H21N7O/c1-13(2)17-20-24-19(14-6-4-3-5-7-14)26-28(20)11-10-27(17)21(29)16-9-8-15-12-22-25-18(15)23-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,25)/t17-/m0/s1
InChIKeyJALCOFKIQMXXGK-KRWDZBQOSA-N
MW387.45 g/mol
LogP3.07
Rot. Bonds3

About [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone

[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone (PubChem CID 164697836) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
PubChem CID164697836
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc2cn[nH]c2n1
InChIInChI=1S/C21H21N7O/c1-13(2)17-20-24-19(14-6-4-3-5-7-14)26-28(20)11-10-27(17)21(29)16-9-8-15-12-22-25-18(15)23-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,25)/t17-/m0/s1
InChIKeyJALCOFKIQMXXGK-KRWDZBQOSA-N
XLogP3.07
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethyl-1H-imidazol-4-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164697805
(5-cyclopropyl-1-methylpyrazol-3-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695344
6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one
CID 164694721
(5-hydroxy-3-pyridinyl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164693252
(2,4-dimethyl-1,3-oxazol-5-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695559
3-hydroxy-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164695835
2-cyclopropyl-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone;formic acid
CID 166598940
1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164691158
1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164688513
[4-(aminomethyl)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;hydrochloride
CID 171317425
[3-(dimethylamino)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690495
1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea
CID 164691265

Frequently Asked Questions

What is the IUPAC name of [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The IUPAC name of [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone (CID 164697836) is [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The canonical SMILES for [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc2cn[nH]c2n1.
What is the InChIKey of [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The InChIKey is JALCOFKIQMXXGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13(2)17-20-24-19(14-6-4-3-5-7-14)26-28(20)11-10-27(17)21(29)16-9-8-15-12-22-25-18(15)23-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,25)/t17-/m0/s1.
What are the key properties of [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone has a molecular weight of 387.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 164697836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).