formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol

C24H23F3N4O2 — CID 153389441

About formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol

formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol (PubChem CID 153389441) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol
• PubChem CID: 153389441
• Molecular Formula: C24H23F3N4O2
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.18
• IUPAC Name: formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol
• SMILES: CC(C)(O)c1cccc(-c2cnc3[nH]cc(Nc4ccc(C(F)(F)F)cc4)c3c2)c1.NC=O
• InChI: InChI=1S/C23H20F3N3O.CH3NO/c1-22(2,30)17-5-3-4-14(10-17)15-11-19-20(13-28-21(19)27-12-15)29-18-8-6-16(7-9-18)23(24,25)26;2-1-3/h3-13,29-30H,1-2H3,(H,27,28);1H,(H2,2,3)
• InChIKey: XUMVNJXNFHXHOG-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 104.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol?

The IUPAC name of formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol (CID 153389441) is formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol.

What is the SMILES notation for formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol?

The canonical SMILES for formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2cnc3[nH]cc(Nc4ccc(C(F)(F)F)cc4)c3c2)c1.NC=O.

What is the InChIKey of formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol?

The InChIKey is XUMVNJXNFHXHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O.CH3NO/c1-22(2,30)17-5-3-4-14(10-17)15-11-19-20(13-28-21(19)27-12-15)29-18-8-6-16(7-9-18)23(24,25)26;2-1-3/h3-13,29-30H,1-2H3,(H,27,28);1H,(H2,2,3).

What are the key properties of formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol?

formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol has a molecular weight of 456.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for formamide;2-[3-[3-[4-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 153389441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).