4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride

C52H46Cl4F8N10O8S2 — CID 158617486

About 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride

4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride (PubChem CID 158617486) has the molecular formula C52H46Cl4F8N10O8S2 and a molecular weight of 1296.93 g/mol. Its IUPAC name is 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride
• PubChem CID: 158617486
• Molecular Formula: C52H46Cl4F8N10O8S2
• Molecular Weight: 1296.93 g/mol
• Exact Mass: 1294.16
• IUPAC Name: 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride
• SMILES: Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1cc2c(Cl)nccc2o1.Cl.O=S(=O)(Cl)c1cc2c(Cl)nccc2o1
• InChI: InChI=1S/C26H22ClF4N5O4S.C19H20F4N4O.C7H3Cl2NO3S.ClH/c1-13-10-33-19(16-11-34-25(35-12-16)26(29,30)31)7-15(13)3-4-21(37)20-9-18(28)14(2)36(20)41(38,39)23-8-17-22(40-23)5-6-32-24(17)27;1-10-7-24-15(13-8-25-18(26-9-13)19(21,22)23)5-12(10)3-4-17(28)16-6-14(20)11(2)27-16;8-7-4-3-6(14(9,11)12)13-5(4)1-2-10-7;/h5-8,10-12,14,18,20H,3-4,9H2,1-2H3;5,7-9,11,14,16,27H,3-4,6H2,1-2H3;1-3H;1H/t14-,18+,20-;11-,14+,16-;;/m00../s1
• InChIKey: NGXWXCNHMSEJBJ-SZCLKTFGSA-N
• XLogP: 11.64
• TPSA: 247.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.93
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride?

The IUPAC name of 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride (CID 158617486) is 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride.

What is the SMILES notation for 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride?

The canonical SMILES for 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride is Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1cc2c(Cl)nccc2o1.Cl.O=S(=O)(Cl)c1cc2c(Cl)nccc2o1.

What is the InChIKey of 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride?

The InChIKey is NGXWXCNHMSEJBJ-SZCLKTFGSA-N. The full InChI is InChI=1S/C26H22ClF4N5O4S.C19H20F4N4O.C7H3Cl2NO3S.ClH/c1-13-10-33-19(16-11-34-25(35-12-16)26(29,30)31)7-15(13)3-4-21(37)20-9-18(28)14(2)36(20)41(38,39)23-8-17-22(40-23)5-6-32-24(17)27;1-10-7-24-15(13-8-25-18(26-9-13)19(21,22)23)5-12(10)3-4-17(28)16-6-14(20)11(2)27-16;8-7-4-3-6(14(9,11)12)13-5(4)1-2-10-7;/h5-8,10-12,14,18,20H,3-4,9H2,1-2H3;5,7-9,11,14,16,27H,3-4,6H2,1-2H3;1-3H;1H/t14-,18+,20-;11-,14+,16-;;/m00../s1.

What are the key properties of 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride?

4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride has a molecular weight of 1296.93 g/mol, XLogP of 11.64, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride;1-[(2S,4R,5S)-1-(4-chlorofuro[3,2-c]pyridin-2-yl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;hydrochloride is sourced from PubChem (CID 158617486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).