[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone

C22H23N5O — CID 164693666

IUPAC[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1
InChIInChI=1S/C22H23N5O/c1-14-12-26(13-19-24-25-21(27(14)19)17-8-9-17)22(28)20-15(2)23-11-10-18(20)16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyHHRJMOGMYFHVNI-AWEZNQCLSA-N
MW373.46 g/mol
LogP3.74
Rot. Bonds3

About [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (PubChem CID 164693666) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
PubChem CID164693666
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1
InChIInChI=1S/C22H23N5O/c1-14-12-26(13-19-24-25-21(27(14)19)17-8-9-17)22(28)20-15(2)23-11-10-18(20)16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyHHRJMOGMYFHVNI-AWEZNQCLSA-N
XLogP3.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 164690316
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644584
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
CID 164692394
[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 56918819
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 164695077
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 164698143
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 172659016
(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
CID 95216578
[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 165421979
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 164691948

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (CID 164693666) is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone is Cc1nccc(-c2ccccc2)c1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1.
What is the InChIKey of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The InChIKey is HHRJMOGMYFHVNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-12-26(13-19-24-25-21(27(14)19)17-8-9-17)22(28)20-15(2)23-11-10-18(20)16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 164693666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).