2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

C29H24F3N7O2 — CID 130423407

About 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (PubChem CID 130423407) has the molecular formula C29H24F3N7O2 and a molecular weight of 559.55 g/mol. Its IUPAC name is 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
• PubChem CID: 130423407
• Molecular Formula: C29H24F3N7O2
• Molecular Weight: 559.55 g/mol
• Exact Mass: 559.19
• IUPAC Name: 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc(-c2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)cn1)Nc1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C29H24F3N7O2/c30-29(31,32)25-13-23(5-6-33-25)37-27(40)14-22-3-1-18(15-34-22)21-11-20-12-24(38-28(20)36-17-21)19-2-4-26(35-16-19)39-7-9-41-10-8-39/h1-6,11-13,15-17H,7-10,14H2,(H,36,38)(H,33,37,40)
• InChIKey: CETWZGMCIATGEX-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.55
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?

The IUPAC name of 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (CID 130423407) is 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.

What is the SMILES notation for 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?

The canonical SMILES for 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is O=C(Cc1ccc(-c2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)cn1)Nc1ccnc(C(F)(F)F)c1.

What is the InChIKey of 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?

The InChIKey is CETWZGMCIATGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N7O2/c30-29(31,32)25-13-23(5-6-33-25)37-27(40)14-22-3-1-18(15-34-22)21-11-20-12-24(38-28(20)36-17-21)19-2-4-26(35-16-19)39-7-9-41-10-8-39/h1-6,11-13,15-17H,7-10,14H2,(H,36,38)(H,33,37,40).

What are the key properties of 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?

2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide has a molecular weight of 559.55 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 130423407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).