2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide

C22H23FIN5O5S — CID 54575257

IUPAC2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(CCCN3CCNC3=O)S(C)(=O)=O)c(I)cc12
InChIInChI=1S/C22H23FIN5O5S/c1-25-20(30)17-15-12-16(24)19(27-21(15)34-18(17)13-4-6-14(23)7-5-13)29(35(2,32)33)10-3-9-28-11-8-26-22(28)31/h4-7,12H,3,8-11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyJQVILRBYUGMHCI-UHFFFAOYSA-N
MW615.43 g/mol
LogP2.78
Rot. Bonds8

About 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 54575257) has the molecular formula C22H23FIN5O5S and a molecular weight of 615.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID54575257
Molecular FormulaC22H23FIN5O5S
Molecular Weight615.43 g/mol
Exact Mass615.04
IUPAC Name2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(CCCN3CCNC3=O)S(C)(=O)=O)c(I)cc12
InChIInChI=1S/C22H23FIN5O5S/c1-25-20(30)17-15-12-16(24)19(27-21(15)34-18(17)13-4-6-14(23)7-5-13)29(35(2,32)33)10-3-9-28-11-8-26-22(28)31/h4-7,12H,3,8-11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyJQVILRBYUGMHCI-UHFFFAOYSA-N
XLogP2.78
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide (CID 54575257) is 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(CCCN3CCNC3=O)S(C)(=O)=O)c(I)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JQVILRBYUGMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FIN5O5S/c1-25-20(30)17-15-12-16(24)19(27-21(15)34-18(17)13-4-6-14(23)7-5-13)29(35(2,32)33)10-3-9-28-11-8-26-22(28)31/h4-7,12H,3,8-11H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 615.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 54575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).