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

C26H18ClF3N8O — CID 167681941

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167681941) has the molecular formula C26H18ClF3N8O and a molecular weight of 550.93 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167681941
• Molecular Formula: C26H18ClF3N8O
• Molecular Weight: 550.93 g/mol
• Exact Mass: 550.12
• IUPAC Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(C(F)(F)F)n1
• InChI: InChI=1S/C26H18ClF3N8O/c1-12-2-4-15(24(33-12)26(28,29)30)19-10-31-25(34-19)23-18-9-17(18)21-6-13(7-22(39)38(21)23)16-8-14(27)3-5-20(16)37-11-32-35-36-37/h2-8,10-11,17-18,23H,9H2,1H3,(H,31,34)
• InChIKey: FGLVCCXELWSASR-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 107.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.93
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167681941) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

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

The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(C(F)(F)F)n1.

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

The InChIKey is FGLVCCXELWSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N8O/c1-12-2-4-15(24(33-12)26(28,29)30)19-10-31-25(34-19)23-18-9-17(18)21-6-13(7-22(39)38(21)23)16-8-14(27)3-5-20(16)37-11-32-35-36-37/h2-8,10-11,17-18,23H,9H2,1H3,(H,31,34).

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 550.93 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167681941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).