(6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C20H23FN6O — CID 110262078

About (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 110262078) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 110262078
• Molecular Formula: C20H23FN6O
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.19
• IUPAC Name: (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: CN1CCCC(c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1
• InChI: InChI=1S/C20H23FN6O/c1-25-6-2-3-14(11-25)19-24-23-18-12-26(7-8-27(18)19)20(28)17-9-13-4-5-15(21)10-16(13)22-17/h4-5,9-10,14,22H,2-3,6-8,11-12H2,1H3
• InChIKey: AWLRTDAAXDHOCH-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 110262078) is (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CN1CCCC(c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1.

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

The InChIKey is AWLRTDAAXDHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-25-6-2-3-14(11-25)19-24-23-18-12-26(7-8-27(18)19)20(28)17-9-13-4-5-15(21)10-16(13)22-17/h4-5,9-10,14,22H,2-3,6-8,11-12H2,1H3.

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

(6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 110262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).