[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C20H20N6OS — CID 156585181

About [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 156585181) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 156585181
• Molecular Formula: C20H20N6OS
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.14
• IUPAC Name: [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• SMILES: Cn1cccc1-c1nnc2ccc(C(=O)N3CCCCC3c3nccs3)cn12
• InChI: InChI=1S/C20H20N6OS/c1-24-10-4-6-15(24)18-23-22-17-8-7-14(13-26(17)18)20(27)25-11-3-2-5-16(25)19-21-9-12-28-19/h4,6-10,12-13,16H,2-3,5,11H2,1H3
• InChIKey: RKSRSNIUTHMOJM-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 68.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 156585181) is [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cn1cccc1-c1nnc2ccc(C(=O)N3CCCCC3c3nccs3)cn12.

What is the InChIKey of [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is RKSRSNIUTHMOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-24-10-4-6-15(24)18-23-22-17-8-7-14(13-26(17)18)20(27)25-11-3-2-5-16(25)19-21-9-12-28-19/h4,6-10,12-13,16H,2-3,5,11H2,1H3.

What are the key properties of [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 392.49 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 156585181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).