(2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one

C25H18Cl2FN9O — CID 163680986

About (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one

(2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 163680986) has the molecular formula C25H18Cl2FN9O and a molecular weight of 550.39 g/mol. Its IUPAC name is (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 163680986
• Molecular Formula: C25H18Cl2FN9O
• Molecular Weight: 550.39 g/mol
• Exact Mass: 549.10
• IUPAC Name: (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one
• SMILES: C=C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc(N)nc2F)c(Cl)[nH]1
• InChI: InChI=1S/C25H18Cl2FN9O/c1-2-12-7-15-8-13(17-10-14(26)3-5-18(17)36-11-30-34-35-36)9-20(38)37(15)22(12)25-32-21(23(27)33-25)16-4-6-19(29)31-24(16)28/h2-6,8-12,22H,1,7H2,(H2,29,31)(H,32,33)/t12-,22-/m0/s1
• InChIKey: JKUSLHWSONVTEF-YTEVENLXSA-N
• XLogP: 4.25
• TPSA: 133.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.39
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one?

The IUPAC name of (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one (CID 163680986) is (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one.

What is the SMILES notation for (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one?

The canonical SMILES for (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one is C=C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc(N)nc2F)c(Cl)[nH]1.

What is the InChIKey of (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one?

The InChIKey is JKUSLHWSONVTEF-YTEVENLXSA-N. The full InChI is InChI=1S/C25H18Cl2FN9O/c1-2-12-7-15-8-13(17-10-14(26)3-5-18(17)36-11-30-34-35-36)9-20(38)37(15)22(12)25-32-21(23(27)33-25)16-4-6-19(29)31-24(16)28/h2-6,8-12,22H,1,7H2,(H2,29,31)(H,32,33)/t12-,22-/m0/s1.

What are the key properties of (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one?

(2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 550.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-[4-(6-amino-2-fluoro-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-ethenyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 163680986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).