2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C24H17ClF3N5O — CID 167066967

About 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066967) has the molecular formula C24H17ClF3N5O and a molecular weight of 483.88 g/mol. Its IUPAC name is 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167066967
• Molecular Formula: C24H17ClF3N5O
• Molecular Weight: 483.88 g/mol
• Exact Mass: 483.11
• IUPAC Name: 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5C(F)F)cc(=O)n43)[nH]2)c(F)n1
• InChI: InChI=1S/C24H17ClF3N5O/c25-11-1-2-12(22(26)27)14(7-11)10-5-18-15-8-16(15)21(33(18)20(34)6-10)24-30-9-17(31-24)13-3-4-19(29)32-23(13)28/h1-7,9,15-16,21-22H,8H2,(H2,29,32)(H,30,31)
• InChIKey: NFLZWUJHEKPIFH-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 89.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.88
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066967) is 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

What is the SMILES notation for 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5C(F)F)cc(=O)n43)[nH]2)c(F)n1.

What is the InChIKey of 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is NFLZWUJHEKPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O/c25-11-1-2-12(22(26)27)14(7-11)10-5-18-15-8-16(15)21(33(18)20(34)6-10)24-30-9-17(31-24)13-3-4-19(29)32-23(13)28/h1-7,9,15-16,21-22H,8H2,(H2,29,32)(H,30,31).

What are the key properties of 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 483.88 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).