8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile

C127H120Cl2F7N33O — CID 158162757

About 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile

8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile (PubChem CID 158162757) has the molecular formula C127H120Cl2F7N33O and a molecular weight of 2328.48 g/mol. Its IUPAC name is 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile
• PubChem CID: 158162757
• Molecular Formula: C127H120Cl2F7N33O
• Molecular Weight: 2328.48 g/mol
• Exact Mass: 2325.96
• IUPAC Name: 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile
• SMILES: C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cncc4ccccc34)cc2c1NCC(C)(C)C.C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)F)CC4)NN3)c3ccc(F)c4ncccc34)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4[C@H]5CN(C6COC6)C[C@@H]45)NN3)c3cccnc3)cc2c1N[C@H](CC)c1ccccc1.Cc1ncc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CNNN4)c4cccnc4C)cc23)cc1F
• InChI: InChI=1S/C36H37ClN8O.2C33H31F3N8.C25H21ClFN9/c1-3-22-16-39-35-27(33(22)41-31(4-2)23-9-6-5-7-10-23)13-25(14-30(35)37)40-34(24-11-8-12-38-15-24)32-19-45(43-42-32)36-28-17-44(18-29(28)36)26-20-46-21-26;1-5-19-16-39-28-20(15-37)13-21(14-24(28)27(19)40-18-32(2,3)4)41-30(23-8-9-25(34)29-22(23)7-6-12-38-29)26-17-44(43-42-26)33(10-11-33)31(35)36;1-5-20-16-39-29-22(14-37)12-23(13-25(29)28(20)40-19-31(2,3)4)41-30(26-17-38-15-21-8-6-7-9-24(21)26)27-18-44(43-42-27)32(10-11-32)33(34,35)36;1-13-18(4-3-5-29-13)25(22-12-32-36-35-22)33-16-6-19-23(34-17-8-21(27)14(2)30-11-17)15(9-28)10-31-24(19)20(26)7-16/h1,5-16,19,26,28-29,31,34,36,40,42-43H,4,17-18,20-21H2,2H3,(H,39,41);1,6-9,12-14,16-17,30-31,41-43H,10-11,18H2,2-4H3,(H,39,40);1,6-9,12-13,15-18,30,41-43H,10-11,19H2,2-4H3,(H,39,40);3-8,10-12,25,32-33,35-36H,1-2H3,(H,31,34)/t28-,29+,31-,34+,36?;2*30-;25-/m1000/s1
• InChIKey: FWMBDPMAXZCVPX-QCZWYLHJSA-N
• XLogP: 22.99
• TPSA: 414.08 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.48
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile?

The IUPAC name of 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile (CID 158162757) is 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile.

What is the SMILES notation for 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile?

The canonical SMILES for 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile is C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cncc4ccccc34)cc2c1NCC(C)(C)C.C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)F)CC4)NN3)c3ccc(F)c4ncccc34)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4[C@H]5CN(C6COC6)C[C@@H]45)NN3)c3cccnc3)cc2c1N[C@H](CC)c1ccccc1.Cc1ncc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CNNN4)c4cccnc4C)cc23)cc1F.

What is the InChIKey of 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile?

The InChIKey is FWMBDPMAXZCVPX-QCZWYLHJSA-N. The full InChI is InChI=1S/C36H37ClN8O.2C33H31F3N8.C25H21ClFN9/c1-3-22-16-39-35-27(33(22)41-31(4-2)23-9-6-5-7-10-23)13-25(14-30(35)37)40-34(24-11-8-12-38-15-24)32-19-45(43-42-32)36-28-17-44(18-29(28)36)26-20-46-21-26;1-5-19-16-39-28-20(15-37)13-21(14-24(28)27(19)40-18-32(2,3)4)41-30(23-8-9-25(34)29-22(23)7-6-12-38-29)26-17-44(43-42-26)33(10-11-33)31(35)36;1-5-20-16-39-29-22(14-37)12-23(13-25(29)28(20)40-19-31(2,3)4)41-30(26-17-38-15-21-8-6-7-9-24(21)26)27-18-44(43-42-27)32(10-11-32)33(34,35)36;1-13-18(4-3-5-29-13)25(22-12-32-36-35-22)33-16-6-19-23(34-17-8-21(27)14(2)30-11-17)15(9-28)10-31-24(19)20(26)7-16/h1,5-16,19,26,28-29,31,34,36,40,42-43H,4,17-18,20-21H2,2H3,(H,39,41);1,6-9,12-14,16-17,30-31,41-43H,10-11,18H2,2-4H3,(H,39,40);1,6-9,12-13,15-18,30,41-43H,10-11,19H2,2-4H3,(H,39,40);3-8,10-12,25,32-33,35-36H,1-2H3,(H,31,34)/t28-,29+,31-,34+,36?;2*30-;25-/m1000/s1.

What are the key properties of 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile?

8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile has a molecular weight of 2328.48 g/mol, XLogP of 22.99, 31 rotatable bonds, 17 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-[[(S)-2,3-dihydro-1H-triazol-4-yl-(2-methyl-3-pyridinyl)methyl]amino]-4-[(5-fluoro-6-methyl-3-pyridinyl)amino]quinoline-3-carbonitrile;8-chloro-3-ethynyl-6-N-[(S)-[3-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-dihydrotriazol-5-yl]-pyridin-3-ylmethyl]-4-N-[(1R)-1-phenylpropyl]quinoline-4,6-diamine;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(8-fluoroquinolin-5-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;4-(2,2-dimethylpropylamino)-3-ethynyl-6-[[(S)-isoquinolin-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]amino]quinoline-8-carbonitrile is sourced from PubChem (CID 158162757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).