N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H17ClF3N3O — CID 162219096

About N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 162219096) has the molecular formula C23H17ClF3N3O and a molecular weight of 443.86 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 162219096
• Molecular Formula: C23H17ClF3N3O
• Molecular Weight: 443.86 g/mol
• Exact Mass: 443.10
• IUPAC Name: N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1cnc2c(c1)CC(c1cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc1Cl)=N2
• InChI: InChI=1S/C23H17ClF3N3O/c1-13-8-15-10-20(30-22(15)28-12-13)18-11-17(6-7-19(18)24)29-21(31)9-14-2-4-16(5-3-14)23(25,26)27/h2-8,11-12H,9-10H2,1H3,(H,29,31)
• InChIKey: ZTWLPHZKCLJCDS-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 54.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.86
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 162219096) is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cnc2c(c1)CC(c1cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc1Cl)=N2.

What is the InChIKey of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The InChIKey is ZTWLPHZKCLJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O/c1-13-8-15-10-20(30-22(15)28-12-13)18-11-17(6-7-19(18)24)29-21(31)9-14-2-4-16(5-3-14)23(25,26)27/h2-8,11-12H,9-10H2,1H3,(H,29,31).

What are the key properties of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.86 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162219096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).