(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane

C66H65F11N8O10Si — CID 165025286

About (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane

(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane (PubChem CID 165025286) has the molecular formula C66H65F11N8O10Si and a molecular weight of 1367.36 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane.

Molecular Properties

• Compound Name: (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane
• PubChem CID: 165025286
• Molecular Formula: C66H65F11N8O10Si
• Molecular Weight: 1367.36 g/mol
• Exact Mass: 1366.44
• IUPAC Name: (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane
• SMILES: C.C#C[Si](C)(C)C.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnn2)C(F)(F)F)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N=[N+]=[N-])C(F)(F)F)ccc1OC1CC1
• InChI: InChI=1S/C31H25F7N4O5.C29H26F4N4O5.C5H10Si.CH4/c1-45-24-14-18(4-9-23(24)47-20-7-8-20)22(43)10-11-29(44,31(36,37)38)25-15-21-27(26(40-25)17-2-5-19(32)6-3-17)46-16-28(21,30(33,34)35)42-13-12-39-41-42;1-27(36-37-34)15-41-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(39,29(31,32)33)12-11-21(38)17-5-10-22(23(13-17)40-2)42-19-8-9-19;1-5-6(2,3)4;/h2-6,9,12-15,20,44H,7-8,10-11,16H2,1H3;3-7,10,13-14,19,39H,8-9,11-12,15H2,1-2H3;1H,2-4H3;1H4/t28-,29-;27-,28-;;/m00../s1
• InChIKey: LUCPPNKOWMAPEO-BBCPRLTLSA-N
• XLogP: 15.04
• TPSA: 235.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.36
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane?

The IUPAC name of (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane (CID 165025286) is (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane.

What is the SMILES notation for (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane?

The canonical SMILES for (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane is C.C#C[Si](C)(C)C.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnn2)C(F)(F)F)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N=[N+]=[N-])C(F)(F)F)ccc1OC1CC1.

What is the InChIKey of (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane?

The InChIKey is LUCPPNKOWMAPEO-BBCPRLTLSA-N. The full InChI is InChI=1S/C31H25F7N4O5.C29H26F4N4O5.C5H10Si.CH4/c1-45-24-14-18(4-9-23(24)47-20-7-8-20)22(43)10-11-29(44,31(36,37)38)25-15-21-27(26(40-25)17-2-5-19(32)6-3-17)46-16-28(21,30(33,34)35)42-13-12-39-41-42;1-27(36-37-34)15-41-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(39,29(31,32)33)12-11-21(38)17-5-10-22(23(13-17)40-2)42-19-8-9-19;1-5-6(2,3)4;/h2-6,9,12-15,20,44H,7-8,10-11,16H2,1H3;3-7,10,13-14,19,39H,8-9,11-12,15H2,1-2H3;1H,2-4H3;1H4/t28-,29-;27-,28-;;/m00../s1.

What are the key properties of (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane?

(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane has a molecular weight of 1367.36 g/mol, XLogP of 15.04, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;ethynyl(trimethyl)silane;methane is sourced from PubChem (CID 165025286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).