N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C50H34F3N7O8S3 — CID 161179275

About N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 161179275) has the molecular formula C50H34F3N7O8S3 and a molecular weight of 1014.06 g/mol. Its IUPAC name is N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 161179275
• Molecular Formula: C50H34F3N7O8S3
• Molecular Weight: 1014.06 g/mol
• Exact Mass: 1013.16
• IUPAC Name: N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2Oc2ccccc2S3)cc1)c1cc2cnccc2[nH]1
• InChI: InChI=1S/C27H19N3O4S2.C23H15F3N4O4S/c31-27(21-14-18-16-28-13-12-20(18)30-21)29-15-17-8-10-19(11-9-17)36(32,33)25-7-3-6-24-26(25)34-22-4-1-2-5-23(22)35-24;24-23(25,26)20-13-30-12-17(5-6-21(30)29-20)35(32,33)16-3-1-14(2-4-16)10-28-22(31)18-9-15-7-8-27-11-19(15)34-18/h1-14,16,30H,15H2,(H,29,31);1-9,11-13H,10H2,(H,28,31)
• InChIKey: USFNPXIJCSSOOA-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 207.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.06
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 161179275) is N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2Oc2ccccc2S3)cc1)c1cc2cnccc2[nH]1.

What is the InChIKey of N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is USFNPXIJCSSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4S2.C23H15F3N4O4S/c31-27(21-14-18-16-28-13-12-20(18)30-21)29-15-17-8-10-19(11-9-17)36(32,33)25-7-3-6-24-26(25)34-22-4-1-2-5-23(22)35-24;24-23(25,26)20-13-30-12-17(5-6-21(30)29-20)35(32,33)16-3-1-14(2-4-16)10-28-22(31)18-9-15-7-8-27-11-19(15)34-18/h1-14,16,30H,15H2,(H,29,31);1-9,11-13H,10H2,(H,28,31).

What are the key properties of N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1014.06 g/mol, XLogP of 9.84, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 161179275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).