1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine

C26H32FN7O — CID 147519918

About 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine

1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine (PubChem CID 147519918) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine
• PubChem CID: 147519918
• Molecular Formula: C26H32FN7O
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.27
• IUPAC Name: 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine
• SMILES: Cc1cc(-c2[nH]c3cnc(N4CCC(NC5(C)COC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C26H32FN7O/c1-15(2)20-21-19(31-23(20)17-9-16(3)24-29-14-30-34(24)11-17)10-28-25(22(21)27)33-7-5-18(6-8-33)32-26(4)12-35-13-26/h9-11,14-15,18,31-32H,5-8,12-13H2,1-4H3
• InChIKey: FKYPTBFYBRLEEE-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 83.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine?

The IUPAC name of 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine (CID 147519918) is 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine.

What is the SMILES notation for 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine?

The canonical SMILES for 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine is Cc1cc(-c2[nH]c3cnc(N4CCC(NC5(C)COC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.

What is the InChIKey of 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine?

The InChIKey is FKYPTBFYBRLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-15(2)20-21-19(31-23(20)17-9-16(3)24-29-14-30-34(24)11-17)10-28-25(22(21)27)33-7-5-18(6-8-33)32-26(4)12-35-13-26/h9-11,14-15,18,31-32H,5-8,12-13H2,1-4H3.

What are the key properties of 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine?

1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine has a molecular weight of 477.59 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[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]-N-(3-methyloxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 147519918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).