(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one

C121H104F21N15O9S — CID 158538595

About (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one (PubChem CID 158538595) has the molecular formula C121H104F21N15O9S and a molecular weight of 2343.28 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one
• PubChem CID: 158538595
• Molecular Formula: C121H104F21N15O9S
• Molecular Weight: 2343.28 g/mol
• Exact Mass: 2341.75
• IUPAC Name: (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one
• SMILES: C=S(C)(=O)Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCOCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12.Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12.Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCOCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12
• InChI: InChI=1S/C42H38F7N5O4S.C40H34F7N5O3.C39H32F7N5O2/c1-53-37-30(5-4-6-31(37)34(51-53)22-59(2,3)57)29-8-7-27(9-10-40(56)11-13-58-14-12-40)50-36(29)24(15-23-16-25(43)19-26(44)17-23)18-28(55)21-54-39-35(38(52-54)42(47,48)49)32-20-33(32)41(39,45)46;1-21-28-4-3-5-30(35(28)51(2)49-21)29-7-6-26(8-9-38(54)10-12-55-13-11-38)48-34(29)23(14-22-15-24(41)18-25(42)16-22)17-27(53)20-52-37-33(36(50-52)40(45,46)47)31-19-32(31)39(37,43)44;1-20-27-5-3-6-29(34(27)50(2)48-20)28-8-7-25(9-12-37(53)10-4-11-37)47-33(28)22(13-21-14-23(40)17-24(41)15-21)16-26(52)19-51-36-32(35(49-51)39(44,45)46)30-18-31(30)38(36,42)43/h4-8,16-17,19,24,32-33,56H,2,11-15,18,20-22H2,1,3H3;3-7,15-16,18,23,31-32,54H,10-14,17,19-20H2,1-2H3;3,5-8,14-15,17,22,30-31,53H,4,10-11,13,16,18-19H2,1-2H3/t24-,32+,33-,59?;23-,31+,32-;22-,30+,31-/m111/s1
• InChIKey: HOFYMZQDEKIEON-QVQFDFBQSA-N
• XLogP: 22.49
• TPSA: 293.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.28
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one?

The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one (CID 158538595) is (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one.

What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one?

The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one is C=S(C)(=O)Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCOCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12.Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12.Cc1nn(C)c2c(-c3ccc(C#CC4(O)CCOCC4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)cccc12.

What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one?

The InChIKey is HOFYMZQDEKIEON-QVQFDFBQSA-N. The full InChI is InChI=1S/C42H38F7N5O4S.C40H34F7N5O3.C39H32F7N5O2/c1-53-37-30(5-4-6-31(37)34(51-53)22-59(2,3)57)29-8-7-27(9-10-40(56)11-13-58-14-12-40)50-36(29)24(15-23-16-25(43)19-26(44)17-23)18-28(55)21-54-39-35(38(52-54)42(47,48)49)32-20-33(32)41(39,45)46;1-21-28-4-3-5-30(35(28)51(2)49-21)29-7-6-26(8-9-38(54)10-12-55-13-11-38)48-34(29)23(14-22-15-24(41)18-25(42)16-22)17-27(53)20-52-37-33(36(50-52)40(45,46)47)31-19-32(31)39(37,43)44;1-20-27-5-3-6-29(34(27)50(2)48-20)28-8-7-25(9-12-37(53)10-4-11-37)47-33(28)22(13-21-14-23(40)17-24(41)15-21)16-26(52)19-51-36-32(35(49-51)39(44,45)46)30-18-31(30)38(36,42)43/h4-8,16-17,19,24,32-33,56H,2,11-15,18,20-22H2,1,3H3;3-7,15-16,18,23,31-32,54H,10-14,17,19-20H2,1-2H3;3,5-8,14-15,17,22,30-31,53H,4,10-11,13,16,18-19H2,1-2H3/t24-,32+,33-,59?;23-,31+,32-;22-,30+,31-/m111/s1.

What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one?

(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one has a molecular weight of 2343.28 g/mol, XLogP of 22.49, 26 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[3-(1,3-dimethylindazol-7-yl)-6-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[1-methyl-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]indazol-7-yl]-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158538595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).