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

C26H17Cl2F2N7O — CID 167554666

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

2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167554666) has the molecular formula C26H17Cl2F2N7O and a molecular weight of 552.37 g/mol. Its IUPAC name is 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167554666
• Molecular Formula: C26H17Cl2F2N7O
• Molecular Weight: 552.37 g/mol
• Exact Mass: 551.08
• IUPAC Name: 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1
• InChI: InChI=1S/C26H17Cl2F2N7O/c1-11-2-3-13(26(30)32-11)16-9-18(33-25(16)28)24-15-8-14(15)20-6-12(7-21(38)37(20)24)22-19(36-10-31-34-35-36)5-4-17(27)23(22)29/h2-7,10,14-15,24H,8-9H2,1H3
• InChIKey: DRMJBRSCAGOVIZ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 90.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.37
LogP ≤ 5	5.24
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 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167554666) is 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

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

The canonical SMILES for 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1ccc(C2=C(Cl)N=C(C3C4CC4c4cc(-c5c(-n6cnnn6)ccc(Cl)c5F)cc(=O)n43)C2)c(F)n1.

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

The InChIKey is DRMJBRSCAGOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2F2N7O/c1-11-2-3-13(26(30)32-11)16-9-18(33-25(16)28)24-15-8-14(15)20-6-12(7-21(38)37(20)24)22-19(36-10-31-34-35-36)5-4-17(27)23(22)29/h2-7,10,14-15,24H,8-9H2,1H3.

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

2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 552.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrol-2-yl]-6-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167554666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).