sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate

C52H50F4IN8NaO10 — CID 158750245

About sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate

sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate (PubChem CID 158750245) has the molecular formula C52H50F4IN8NaO10 and a molecular weight of 1172.90 g/mol. Its IUPAC name is sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate.

Molecular Properties

• Compound Name: sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate
• PubChem CID: 158750245
• Molecular Formula: C52H50F4IN8NaO10
• Molecular Weight: 1172.90 g/mol
• Exact Mass: 1172.25
• IUPAC Name: sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate
• SMILES: Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)c1F.NC1CC=C(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.OC1COCC1O.[Na+].[O-][I+3]([O-])([O-])[O-]
• InChI: InChI=1S/C26H24F2N4O2.C22H18F2N4O.C4H8O3.IO4.Na/c27-23-3-1-2-19(24(23)28)22-15-31-34-25(22)21-14-30-26-20(21)12-17(13-29-26)16-4-6-18(7-5-16)32-8-10-33-11-9-32;23-19-3-1-2-15(20(19)24)18-11-28-29-21(18)17-10-27-22-16(17)8-13(9-26-22)12-4-6-14(25)7-5-12;5-3-1-7-2-4(3)6;2-1(3,4)5;/h1-4,12-15,18H,5-11H2,(H,29,30);1-4,8-11,14H,5-7,25H2,(H,26,27);3-6H,1-2H2;;/q;;;-1;+1
• InChIKey: INJQAKRTBDFZGZ-UHFFFAOYSA-N
• XLogP: -1.52
• TPSA: 289.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.90
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate?

The IUPAC name of sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate (CID 158750245) is sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate.

What is the SMILES notation for sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate?

The canonical SMILES for sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate is Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)c1F.NC1CC=C(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.OC1COCC1O.[Na+].[O-][I+3]([O-])([O-])[O-].

What is the InChIKey of sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate?

The InChIKey is INJQAKRTBDFZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2.C22H18F2N4O.C4H8O3.IO4.Na/c27-23-3-1-2-19(24(23)28)22-15-31-34-25(22)21-14-30-26-20(21)12-17(13-29-26)16-4-6-18(7-5-16)32-8-10-33-11-9-32;23-19-3-1-2-15(20(19)24)18-11-28-29-21(18)17-10-27-22-16(17)8-13(9-26-22)12-4-6-14(25)7-5-12;5-3-1-7-2-4(3)6;2-1(3,4)5;/h1-4,12-15,18H,5-11H2,(H,29,30);1-4,8-11,14H,5-7,25H2,(H,26,27);3-6H,1-2H2;;/q;;;-1;+1.

What are the key properties of sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate?

sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate has a molecular weight of 1172.90 g/mol, XLogP of -1.52, 7 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-amine;4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;oxolane-3,4-diol;periodate is sourced from PubChem (CID 158750245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).