4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

C23H28F3N7O — CID 175472186

About 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175472186) has the molecular formula C23H28F3N7O and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 175472186
• Molecular Formula: C23H28F3N7O
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.23
• IUPAC Name: 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CCC1NCCOC1c1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2n1
• InChI: InChI=1S/C23H28F3N7O/c1-2-17-20(34-9-8-28-17)18-6-5-14-15(11-29-21(14)32-18)19-16(23(24,25)26)12-30-22(33-19)31-13-4-3-7-27-10-13/h5-6,11-13,17,20,27-28H,2-4,7-10H2,1H3,(H,29,32)(H,30,31,33)
• InChIKey: UVJHGVLROGBMFC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 99.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 175472186) is 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is CCC1NCCOC1c1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2n1.

What is the InChIKey of 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is UVJHGVLROGBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O/c1-2-17-20(34-9-8-28-17)18-6-5-14-15(11-29-21(14)32-18)19-16(23(24,25)26)12-30-22(33-19)31-13-4-3-7-27-10-13/h5-6,11-13,17,20,27-28H,2-4,7-10H2,1H3,(H,29,32)(H,30,31,33).

What are the key properties of 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?

4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 475.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175472186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).