3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one

C25H21ClF2N6O3 — CID 162684597

About 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one

3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 162684597) has the molecular formula C25H21ClF2N6O3 and a molecular weight of 526.93 g/mol. Its IUPAC name is 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 162684597
• Molecular Formula: C25H21ClF2N6O3
• Molecular Weight: 526.93 g/mol
• Exact Mass: 526.13
• IUPAC Name: 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: Nc1ccc(Cl)c(F)c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc(-c3ccnc(N4CCOC4=O)c3F)[nH]2)C1
• InChI: InChI=1S/C25H21ClF2N6O3/c26-15-2-3-16(29)20(22(15)28)12-9-13-1-4-18(34(13)19(35)10-12)23-31-11-17(32-23)14-5-6-30-24(21(14)27)33-7-8-37-25(33)36/h2-3,5-6,10-11,13,18H,1,4,7-9,29H2,(H,31,32)/t13-,18+/m1/s1
• InChIKey: VCPAHOCPNTWRAF-ACJLOTCBSA-N
• XLogP: 4.46
• TPSA: 117.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.93
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one (CID 162684597) is 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one is Nc1ccc(Cl)c(F)c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc(-c3ccnc(N4CCOC4=O)c3F)[nH]2)C1.

What is the InChIKey of 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is VCPAHOCPNTWRAF-ACJLOTCBSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3/c26-15-2-3-16(29)20(22(15)28)12-9-13-1-4-18(34(13)19(35)10-12)23-31-11-17(32-23)14-5-6-30-24(21(14)27)33-7-8-37-25(33)36/h2-3,5-6,10-11,13,18H,1,4,7-9,29H2,(H,31,32)/t13-,18+/m1/s1.

What are the key properties of 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one?

3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 526.93 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[(3S,8aR)-7-(6-amino-3-chloro-2-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluoro-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162684597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).