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

C23H23N5O2 — CID 172670255

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

(5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 172670255) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 172670255
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: COc1ccc2[nH]c(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)c(C)c2c1
• InChI: InChI=1S/C23H23N5O2/c1-14-18-13-17(30-3)9-10-19(18)24-20(14)23(29)27-11-12-28-22(15(27)2)25-21(26-28)16-7-5-4-6-8-16/h4-10,13,15,24H,11-12H2,1-3H3/t15-/m0/s1
• InChIKey: YINNXEMKBYYDPI-HNNXBMFYSA-N
• XLogP: 3.96
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 172670255) is (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)c(C)c2c1.

What is the InChIKey of (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The InChIKey is YINNXEMKBYYDPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-18-13-17(30-3)9-10-19(18)24-20(14)23(29)27-11-12-28-22(15(27)2)25-21(26-28)16-7-5-4-6-8-16/h4-10,13,15,24H,11-12H2,1-3H3/t15-/m0/s1.

What are the key properties of (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

(5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methoxy-3-methyl-1H-indol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 172670255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).