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

C26H17ClF4N8O — CID 167066526

About 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066526) has the molecular formula C26H17ClF4N8O and a molecular weight of 568.92 g/mol. Its IUPAC name is 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167066526
• Molecular Formula: C26H17ClF4N8O
• Molecular Weight: 568.92 g/mol
• Exact Mass: 568.11
• IUPAC Name: 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)cc(=O)n43)[nH]2)c(F)n1
• InChI: InChI=1S/C26H17ClF4N8O/c27-12-1-3-18(38-10-20(36-37-38)26(29,30)31)14(7-12)11-5-19-15-8-16(15)23(39(19)22(40)6-11)25-33-9-17(34-25)13-2-4-21(32)35-24(13)28/h1-7,9-10,15-16,23H,8H2,(H2,32,35)(H,33,34)
• InChIKey: VTOUIKXBFUTIMD-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.92
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066526) is 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(C(F)(F)F)nn5)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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is VTOUIKXBFUTIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF4N8O/c27-12-1-3-18(38-10-20(36-37-38)26(29,30)31)14(7-12)11-5-19-15-8-16(15)23(39(19)22(40)6-11)25-33-9-17(34-25)13-2-4-21(32)35-24(13)28/h1-7,9-10,15-16,23H,8H2,(H2,32,35)(H,33,34).

What are the key properties of 2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 568.92 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).