3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide

C25H23FIN3O4 — CID 25013982

IUPAC3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)(CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F)OCc1ccccc1
InChIInChI=1S/C25H23FIN3O4/c1-25(2,32-14-16-6-4-3-5-7-16)15-33-30-24(31)23-22(18-13-28-11-10-21(18)34-23)29-20-9-8-17(27)12-19(20)26/h3-13,29H,14-15H2,1-2H3,(H,30,31)
InChIKeyQNFXRVGSCSJLDY-UHFFFAOYSA-N
MW575.38 g/mol
LogP5.97
Rot. Bonds9

About 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013982) has the molecular formula C25H23FIN3O4 and a molecular weight of 575.38 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013982
Molecular FormulaC25H23FIN3O4
Molecular Weight575.38 g/mol
Exact Mass575.07
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)(CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F)OCc1ccccc1
InChIInChI=1S/C25H23FIN3O4/c1-25(2,32-14-16-6-4-3-5-7-16)15-33-30-24(31)23-22(18-13-28-11-10-21(18)34-23)29-20-9-8-17(27)12-19(20)26/h3-13,29H,14-15H2,1-2H3,(H,30,31)
InChIKeyQNFXRVGSCSJLDY-UHFFFAOYSA-N
XLogP5.97
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.38
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide (CID 25013982) is 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide is CC(C)(CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F)OCc1ccccc1.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is QNFXRVGSCSJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FIN3O4/c1-25(2,32-14-16-6-4-3-5-7-16)15-33-30-24(31)23-22(18-13-28-11-10-21(18)34-23)29-20-9-8-17(27)12-19(20)26/h3-13,29H,14-15H2,1-2H3,(H,30,31).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 575.38 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-(2-methyl-2-phenylmethoxypropoxy)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).