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

C22H22N6O — CID 164697364

IUPACimidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc3nccn3c2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C22H22N6O/c1-16-13-27(22(29)18-8-10-19-23-11-12-26(19)14-18)15-21-25-24-20(28(16)21)9-7-17-5-3-2-4-6-17/h2-6,8,10-12,14,16H,7,9,13,15H2,1H3/t16-/m0/s1
InChIKeyKDFSNIMNHBANTO-INIZCTEOSA-N
MW386.46 g/mol
LogP2.93
Rot. Bonds4

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

imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164697364) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164697364
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Nameimidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc3nccn3c2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C22H22N6O/c1-16-13-27(22(29)18-8-10-19-23-11-12-26(19)14-18)15-21-25-24-20(28(16)21)9-7-17-5-3-2-4-6-17/h2-6,8,10-12,14,16H,7,9,13,15H2,1H3/t16-/m0/s1
InChIKeyKDFSNIMNHBANTO-INIZCTEOSA-N
XLogP2.93
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164695279
(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
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridin-4-ylpropan-1-one
CID 164692866
2-methyl-5-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4H-1,2,4-triazol-3-one
CID 164691283
(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
[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164687906
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
CID 164700362
3-[3-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 164698532
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 164691972
[(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

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164697364) is imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2ccc3nccn3c2)Cc2nnc(CCc3ccccc3)n21.
What is the InChIKey of imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is KDFSNIMNHBANTO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N6O/c1-16-13-27(22(29)18-8-10-19-23-11-12-26(19)14-18)15-21-25-24-20(28(16)21)9-7-17-5-3-2-4-6-17/h2-6,8,10-12,14,16H,7,9,13,15H2,1H3/t16-/m0/s1.
What are the key properties of imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164697364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).