2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone

C26H32FN7O — CID 155226254

About 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 155226254) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 155226254
• Molecular Formula: C26H32FN7O
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.27
• IUPAC Name: 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(-c2[nH]c3cnc(C4CCN(C(=O)CN(C)C)CC4)c(F)c3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C26H32FN7O/c1-15(2)21-22-19(31-24(21)18-10-16(3)26-29-14-30-34(26)12-18)11-28-25(23(22)27)17-6-8-33(9-7-17)20(35)13-32(4)5/h10-12,14-15,17,31H,6-9,13H2,1-5H3
• InChIKey: CSKXEGHNPGUCAH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 82.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone (CID 155226254) is 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2[nH]c3cnc(C4CCN(C(=O)CN(C)C)CC4)c(F)c3c2C(C)C)cn2ncnc12.

What is the InChIKey of 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone?

The InChIKey is CSKXEGHNPGUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-15(2)21-22-19(31-24(21)18-10-16(3)26-29-14-30-34(26)12-18)11-28-25(23(22)27)17-6-8-33(9-7-17)20(35)13-32(4)5/h10-12,14-15,17,31H,6-9,13H2,1-5H3.

What are the key properties of 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone?

2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 477.59 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[4-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155226254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).