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

C26H18ClF2N7O — CID 167584133

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167584133) has the molecular formula C26H18ClF2N7O and a molecular weight of 517.93 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167584133
• Molecular Formula: C26H18ClF2N7O
• Molecular Weight: 517.93 g/mol
• Exact Mass: 517.12
• IUPAC Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Cc1ccc(C2=NC(F)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1
• InChI: InChI=1S/C26H18ClF2N7O/c1-12-2-4-15(25(28)31-12)20-10-19(26(29)32-20)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35/h2-8,11,17-18,24H,9-10H2,1H3
• InChIKey: IBHPTKRFEJRSDM-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 90.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.93
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167584133) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-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-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1ccc(C2=NC(F)=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)n1.

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

The InChIKey is IBHPTKRFEJRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N7O/c1-12-2-4-15(25(28)31-12)20-10-19(26(29)32-20)24-18-9-17(18)22-6-13(7-23(37)36(22)24)16-8-14(27)3-5-21(16)35-11-30-33-34-35/h2-8,11,17-18,24H,9-10H2,1H3.

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 517.93 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 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-fluoro-2-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167584133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).