(4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane

C94H99Cl3F14N12O6S4Sn — CID 160781903

About (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane

(4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane (PubChem CID 160781903) has the molecular formula C94H99Cl3F14N12O6S4Sn and a molecular weight of 2112.21 g/mol. Its IUPAC name is (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane.

Molecular Properties

• Compound Name: (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane
• PubChem CID: 160781903
• Molecular Formula: C94H99Cl3F14N12O6S4Sn
• Molecular Weight: 2112.21 g/mol
• Exact Mass: 2110.46
• IUPAC Name: (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)(C)C)s1.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(-c4cnc(C(C)(C)C)s4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21
• InChI: InChI=1S/C41H36ClF7N6O3S2.C34H26Cl2F7N5O3S.C7H10NS.3C4H9.Sn/c1-39(2,3)38-50-16-31(59-38)29-9-7-24(25-6-8-28(42)33-30(18-60(5,57)58)52-54(4)35(25)33)34(51-29)20(10-19-11-21(43)14-22(44)12-19)13-23(56)17-55-37-32(36(53-55)41(47,48)49)26-15-27(26)40(37,45)46;1-47-30-21(3-5-24(35)28(30)25(45-47)14-52(2,50)51)20-4-6-26(36)44-29(20)16(7-15-8-17(37)11-18(38)9-15)10-19(49)13-48-32-27(31(46-48)34(41,42)43)22-12-23(22)33(32,39)40;1-7(2,3)6-8-4-5-9-6;3*1-3-4-2;/h6-9,11-12,14,16,20,26-27H,10,13,15,17-18H2,1-5H3;3-6,8-9,11,16,22-23H,7,10,12-14H2,1-2H3;4H,1-3H3;3*1,3-4H2,2H3;/t20-,26+,27-;16-,22+,23-;;;;;/m11...../s1
• InChIKey: SARPDGOLIWQQPO-SVCOUPOZSA-N
• XLogP: 24.61
• TPSA: 225.26 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.21
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane?

The IUPAC name of (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane (CID 160781903) is (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane.

What is the SMILES notation for (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane?

The canonical SMILES for (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)(C)C)s1.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(-c4cnc(C(C)(C)C)s4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.

What is the InChIKey of (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane?

The InChIKey is SARPDGOLIWQQPO-SVCOUPOZSA-N. The full InChI is InChI=1S/C41H36ClF7N6O3S2.C34H26Cl2F7N5O3S.C7H10NS.3C4H9.Sn/c1-39(2,3)38-50-16-31(59-38)29-9-7-24(25-6-8-28(42)33-30(18-60(5,57)58)52-54(4)35(25)33)34(51-29)20(10-19-11-21(43)14-22(44)12-19)13-23(56)17-55-37-32(36(53-55)41(47,48)49)26-15-27(26)40(37,45)46;1-47-30-21(3-5-24(35)28(30)25(45-47)14-52(2,50)51)20-4-6-26(36)44-29(20)16(7-15-8-17(37)11-18(38)9-15)10-19(49)13-48-32-27(31(46-48)34(41,42)43)22-12-23(22)33(32,39)40;1-7(2,3)6-8-4-5-9-6;3*1-3-4-2;/h6-9,11-12,14,16,20,26-27H,10,13,15,17-18H2,1-5H3;3-6,8-9,11,16,22-23H,7,10,12-14H2,1-2H3;4H,1-3H3;3*1,3-4H2,2H3;/t20-,26+,27-;16-,22+,23-;;;;;/m11...../s1.

What are the key properties of (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane?

(4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane has a molecular weight of 2112.21 g/mol, XLogP of 24.61, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[6-(2-tert-butyl-1,3-thiazol-5-yl)-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-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]pentan-2-one;tributyl-(2-tert-butyl-1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 160781903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).