(2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

C26H20ClF3N8O2 — CID 174026779

About (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

(2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 174026779) has the molecular formula C26H20ClF3N8O2 and a molecular weight of 568.95 g/mol. Its IUPAC name is (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 174026779
• Molecular Formula: C26H20ClF3N8O2
• Molecular Weight: 568.95 g/mol
• Exact Mass: 568.13
• IUPAC Name: (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• SMILES: C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1ncc(-c2ccc(N)c(OC(F)(F)F)c2)[nH]1
• InChI: InChI=1S/C26H20ClF3N8O2/c1-13-6-17-7-15(18-10-16(27)3-5-21(18)37-12-33-35-36-37)9-23(39)38(17)24(13)25-32-11-20(34-25)14-2-4-19(31)22(8-14)40-26(28,29)30/h2-5,7-13,24H,6,31H2,1H3,(H,32,34)/t13-,24-/m0/s1
• InChIKey: DDNCRAGEIUVLEZ-RZFZLAGVSA-N
• XLogP: 4.80
• TPSA: 129.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.95
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (CID 174026779) is (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

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

The canonical SMILES for (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1ncc(-c2ccc(N)c(OC(F)(F)F)c2)[nH]1.

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

The InChIKey is DDNCRAGEIUVLEZ-RZFZLAGVSA-N. The full InChI is InChI=1S/C26H20ClF3N8O2/c1-13-6-17-7-15(18-10-16(27)3-5-21(18)37-12-33-35-36-37)9-23(39)38(17)24(13)25-32-11-20(34-25)14-2-4-19(31)22(8-14)40-26(28,29)30/h2-5,7-13,24H,6,31H2,1H3,(H,32,34)/t13-,24-/m0/s1.

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

(2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 568.95 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-3-[5-[4-amino-3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 174026779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).