(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

C26H21ClFN9O3 — CID 174006991

About (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 174006991) has the molecular formula C26H21ClFN9O3 and a molecular weight of 561.97 g/mol. Its IUPAC name is (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 174006991
• Molecular Formula: C26H21ClFN9O3
• Molecular Weight: 561.97 g/mol
• Exact Mass: 561.14
• IUPAC Name: (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• SMILES: C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3c(n2)OCC(O)N3)c(F)[nH]1
• InChI: InChI=1S/C26H21ClFN9O3/c1-12-6-15-7-13(16-9-14(27)2-5-19(16)36-11-29-34-35-36)8-21(39)37(15)23(12)25-32-22(24(28)33-25)17-3-4-18-26(31-17)40-10-20(38)30-18/h2-5,7-9,11-12,20,23,30,38H,6,10H2,1H3,(H,32,33)/t12-,20?,23-/m0/s1
• InChIKey: WNOGRRKPHXCICR-NXIBOGERSA-N
• XLogP: 2.97
• TPSA: 148.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.97
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The IUPAC name of (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (CID 174006991) is (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

What is the SMILES notation for (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The canonical SMILES for (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3c(n2)OCC(O)N3)c(F)[nH]1.

What is the InChIKey of (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The InChIKey is WNOGRRKPHXCICR-NXIBOGERSA-N. The full InChI is InChI=1S/C26H21ClFN9O3/c1-12-6-15-7-13(16-9-14(27)2-5-19(16)36-11-29-34-35-36)8-21(39)37(15)23(12)25-32-22(24(28)33-25)17-3-4-18-26(31-17)40-10-20(38)30-18/h2-5,7-9,11-12,20,23,30,38H,6,10H2,1H3,(H,32,33)/t12-,20?,23-/m0/s1.

What are the key properties of (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 561.97 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-[5-fluoro-4-(2-hydroxy-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-1H-imidazol-2-yl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 174006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).