7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid

C112H88Br2Cl5F14N19O5 — CID 161057788

About 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid

7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid (PubChem CID 161057788) has the molecular formula C112H88Br2Cl5F14N19O5 and a molecular weight of 2383.11 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid.

Molecular Properties

• Compound Name: 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
• PubChem CID: 161057788
• Molecular Formula: C112H88Br2Cl5F14N19O5
• Molecular Weight: 2383.11 g/mol
• Exact Mass: 2377.38
• IUPAC Name: 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
• SMILES: C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)n1.C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](N)Cc2cc(F)cc(F)c2)n1.Cn1nc(N)c2c(Cl)ccc(Br)c21.Cn1ncc2c(Cl)ccc(Br)c21.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21
• InChI: InChI=1S/C34H24ClF6N5O.C29H26ClF2N3O2.C23H17ClF2N4.C10H8F4N2O2.C8H7BrClN3.C8H6BrClN2/c1-3-20-4-5-22(23-6-7-27(35)25-14-42-45(2)31(23)25)29(43-20)17(8-16-9-18(36)12-19(37)10-16)11-21(47)15-46-32-28(30(44-46)33(38)39)24-13-26(24)34(32,40)41;1-6-21-7-8-22(23-9-10-25(30)24-16-33-35(5)28(23)24)27(34-21)18(14-26(36)37-29(2,3)4)11-17-12-19(31)15-20(32)13-17;1-3-16-4-5-17(18-6-7-20(24)19-12-28-30(2)23(18)19)22(29-16)21(27)10-13-8-14(25)11-15(26)9-13;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-13-7-4(9)2-3-5(10)6(7)8(11)12-13;1-12-8-5(4-11-12)7(10)3-2-6(8)9/h1,4-7,9-10,12,14,17,24,26,33H,8,11,13,15H2,2H3;1,7-10,12-13,15-16,18H,11,14H2,2-5H3;1,4-9,11-12,21H,10,27H2,2H3;3-4,9H,1-2H2,(H,17,18);2-3H,1H3,(H2,11,12);2-4H,1H3/t17-,24+,26-;18-;21-;3-,4+;;/m1100../s1
• InChIKey: UCZFKOLVIJPVGT-ABYMKZCPSA-N
• XLogP: 26.95
• TPSA: 296.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.11
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid?

The IUPAC name of 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid (CID 161057788) is 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid.

What is the SMILES notation for 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid?

The canonical SMILES for 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid is C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)n1.C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](CC(=O)OC(C)(C)C)Cc2cc(F)cc(F)c2)n1.C#Cc1ccc(-c2ccc(Cl)c3cnn(C)c23)c([C@@H](N)Cc2cc(F)cc(F)c2)n1.Cn1nc(N)c2c(Cl)ccc(Br)c21.Cn1ncc2c(Cl)ccc(Br)c21.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.

What is the InChIKey of 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid?

The InChIKey is UCZFKOLVIJPVGT-ABYMKZCPSA-N. The full InChI is InChI=1S/C34H24ClF6N5O.C29H26ClF2N3O2.C23H17ClF2N4.C10H8F4N2O2.C8H7BrClN3.C8H6BrClN2/c1-3-20-4-5-22(23-6-7-27(35)25-14-42-45(2)31(23)25)29(43-20)17(8-16-9-18(36)12-19(37)10-16)11-21(47)15-46-32-28(30(44-46)33(38)39)24-13-26(24)34(32,40)41;1-6-21-7-8-22(23-9-10-25(30)24-16-33-35(5)28(23)24)27(34-21)18(14-26(36)37-29(2,3)4)11-17-12-19(31)15-20(32)13-17;1-3-16-4-5-17(18-6-7-20(24)19-12-28-30(2)23(18)19)22(29-16)21(27)10-13-8-14(25)11-15(26)9-13;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-13-7-4(9)2-3-5(10)6(7)8(11)12-13;1-12-8-5(4-11-12)7(10)3-2-6(8)9/h1,4-7,9-10,12,14,17,24,26,33H,8,11,13,15H2,2H3;1,7-10,12-13,15-16,18H,11,14H2,2-5H3;1,4-9,11-12,21H,10,27H2,2H3;3-4,9H,1-2H2,(H,17,18);2-3H,1H3,(H2,11,12);2-4H,1H3/t17-,24+,26-;18-;21-;3-,4+;;/m1100../s1.

What are the key properties of 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid?

7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid has a molecular weight of 2383.11 g/mol, XLogP of 26.95, 22 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-4-chloro-1-methylindazol-3-amine;7-bromo-4-chloro-1-methylindazole;tert-butyl (3R)-3-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-1-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;(1S)-1-[3-(4-chloro-1-methylindazol-7-yl)-6-ethynyl-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid is sourced from PubChem (CID 161057788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).