2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone

C20H20N6O — CID 124882661

IUPAC2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C([C@H]1C[C@H]2CC[C@H]1N2c1nccn2cnnc12)N1CCc2ccccc21
InChIInChI=1S/C20H20N6O/c27-20(25-9-7-13-3-1-2-4-16(13)25)15-11-14-5-6-17(15)26(14)18-19-23-22-12-24(19)10-8-21-18/h1-4,8,10,12,14-15,17H,5-7,9,11H2/t14-,15+,17-/m1/s1
InChIKeyGZFUUTMBHLZQSS-HLLBOEOZSA-N
MW360.42 g/mol
LogP2.07
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone

2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 124882661) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID124882661
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C([C@H]1C[C@H]2CC[C@H]1N2c1nccn2cnnc12)N1CCc2ccccc21
InChIInChI=1S/C20H20N6O/c27-20(25-9-7-13-3-1-2-4-16(13)25)15-11-14-5-6-17(15)26(14)18-19-23-22-12-24(19)10-8-21-18/h1-4,8,10,12,14-15,17H,5-7,9,11H2/t14-,15+,17-/m1/s1
InChIKeyGZFUUTMBHLZQSS-HLLBOEOZSA-N
XLogP2.07
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

2,3-dihydroindol-1-yl-[(1S,2S,4S)-7-(5-methyl-1,3-oxazole-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 124731961
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110704438
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 53498267
1-(2,3-dihydroindol-1-yl)-2-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]ethanone
CID 171997570
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 124882661) is 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C([C@H]1C[C@H]2CC[C@H]1N2c1nccn2cnnc12)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is GZFUUTMBHLZQSS-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(25-9-7-13-3-1-2-4-16(13)25)15-11-14-5-6-17(15)26(14)18-19-23-22-12-24(19)10-8-21-18/h1-4,8,10,12,14-15,17H,5-7,9,11H2/t14-,15+,17-/m1/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone?
2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(1R,2S,4R)-7-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 124882661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).