1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol

C22H24F2IN5O2 — CID 146319693

About 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol

1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol (PubChem CID 146319693) has the molecular formula C22H24F2IN5O2 and a molecular weight of 555.37 g/mol. Its IUPAC name is 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol
• PubChem CID: 146319693
• Molecular Formula: C22H24F2IN5O2
• Molecular Weight: 555.37 g/mol
• Exact Mass: 555.09
• IUPAC Name: 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol
• SMILES: OC(c1cn2ccnc2c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
• InChI: InChI=1S/C22H24F2IN5O2/c23-15-9-13(25)4-5-16(15)28-19-14(10-29-8-7-27-20(29)18(19)24)21(31)30-11-22(32,12-30)17-3-1-2-6-26-17/h4-5,7-10,17,21,26,28,31-32H,1-3,6,11-12H2/t17-,21?/m0/s1
• InChIKey: FEPXFTVNIIXMBG-PBVYKCSPSA-N
• XLogP: 3.14
• TPSA: 85.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.37
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol?

The IUPAC name of 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol (CID 146319693) is 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol.

What is the SMILES notation for 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol?

The canonical SMILES for 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol is OC(c1cn2ccnc2c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1.

What is the InChIKey of 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol?

The InChIKey is FEPXFTVNIIXMBG-PBVYKCSPSA-N. The full InChI is InChI=1S/C22H24F2IN5O2/c23-15-9-13(25)4-5-16(15)28-19-14(10-29-8-7-27-20(29)18(19)24)21(31)30-11-22(32,12-30)17-3-1-2-6-26-17/h4-5,7-10,17,21,26,28,31-32H,1-3,6,11-12H2/t17-,21?/m0/s1.

What are the key properties of 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol?

1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol has a molecular weight of 555.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[8-fluoro-7-(2-fluoro-4-iodoanilino)imidazo[1,2-a]pyridin-6-yl]-hydroxymethyl]-3-[(2S)-piperidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 146319693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).