4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine

C119H121Cl3F7N31O3 — CID 158218502

IUPAC4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine
SMILESC#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C#N)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(NC3C4CC5CC(C4)CC3C5)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1
InChIInChI=1S/C31H32ClFN8.C30H33F4N7O.C30H33FN8O.C28H23Cl2FN8O/c32-25-11-22(37-30(18-1-4-27(33)35-13-18)26-15-41(40-39-26)23-2-3-23)10-24-29(21(12-34)14-36-31(24)25)38-28-19-6-16-5-17(8-19)9-20(28)7-16;1-7-18-14-35-27-21(25(18)36-16-28(3,4)5)12-19(13-23(27)42-6)38-26(20-8-9-24(31)37-17(20)2)22-15-41(40-39-22)29(10-11-29)30(32,33)34;1-7-19-14-33-28-22(26(19)34-17-29(3,4)5)12-20(13-24(28)40-6)36-27(21-8-9-25(31)35-18(21)2)23-15-39(38-37-23)30(16-32)10-11-30;1-40-24-6-3-17(9-21(24)29)35-26-16(11-32)13-34-28-20(26)8-18(10-22(28)30)36-27(15-2-7-25(31)33-12-15)23-14-39(38-37-23)19-4-5-19/h1,4,10-11,13-17,19-20,23,28,30,37,39-40H,2-3,5-9H2,(H,36,38);1,8-9,12-15,26,38-40H,10-11,16H2,2-6H3,(H,35,36);1,8-9,12-15,27,36-38H,10-11,17H2,2-6H3,(H,33,34);2-3,6-10,12-14,19,27,36-38H,4-5H2,1H3,(H,34,35)/t16?,17?,19?,20?,28?,30-;26-;2*27-/m1001/s1/i30D;;;27D
InChIKeyGCYNNBBASXEJLF-CKMPRPSESA-N
MW2274.85 g/mol
LogP23.03
Rot. Bonds31

About 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine

4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine (PubChem CID 158218502) has the molecular formula C119H121Cl3F7N31O3 and a molecular weight of 2274.85 g/mol. Its IUPAC name is 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine.

Molecular Properties

Compound Name4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine
PubChem CID158218502
Molecular FormulaC119H121Cl3F7N31O3
Molecular Weight2274.85 g/mol
Exact Mass2271.93
IUPAC Name4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine
SMILESC#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C#N)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(NC3C4CC5CC(C4)CC3C5)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1
InChIInChI=1S/C31H32ClFN8.C30H33F4N7O.C30H33FN8O.C28H23Cl2FN8O/c32-25-11-22(37-30(18-1-4-27(33)35-13-18)26-15-41(40-39-26)23-2-3-23)10-24-29(21(12-34)14-36-31(24)25)38-28-19-6-16-5-17(8-19)9-20(28)7-16;1-7-18-14-35-27-21(25(18)36-16-28(3,4)5)12-19(13-23(27)42-6)38-26(20-8-9-24(31)37-17(20)2)22-15-41(40-39-22)29(10-11-29)30(32,33)34;1-7-19-14-33-28-22(26(19)34-17-29(3,4)5)12-20(13-24(28)40-6)36-27(21-8-9-25(31)35-18(21)2)23-15-39(38-37-23)30(16-32)10-11-30;1-40-24-6-3-17(9-21(24)29)35-26-16(11-32)13-34-28-20(26)8-18(10-22(28)30)36-27(15-2-7-25(31)33-12-15)23-14-39(38-37-23)19-4-5-19/h1,4,10-11,13-17,19-20,23,28,30,37,39-40H,2-3,5-9H2,(H,36,38);1,8-9,12-15,26,38-40H,10-11,16H2,2-6H3,(H,35,36);1,8-9,12-15,27,36-38H,10-11,17H2,2-6H3,(H,33,34);2-3,6-10,12-14,19,27,36-38H,4-5H2,1H3,(H,34,35)/t16?,17?,19?,20?,28?,30-;26-;2*27-/m1001/s1/i30D;;;27D
InChIKeyGCYNNBBASXEJLF-CKMPRPSESA-N
XLogP23.03
TPSA407.62 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.85
LogP ≤ 523.03
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine?
The IUPAC name of 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine (CID 158218502) is 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine.
What is the SMILES notation for 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine?
The canonical SMILES for 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine is C#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C#N)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(OC)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(NC3C4CC5CC(C4)CC3C5)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1.[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1)(C1=CN(C2CC2)NN1)c1ccc(F)nc1.
What is the InChIKey of 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine?
The InChIKey is GCYNNBBASXEJLF-CKMPRPSESA-N. The full InChI is InChI=1S/C31H32ClFN8.C30H33F4N7O.C30H33FN8O.C28H23Cl2FN8O/c32-25-11-22(37-30(18-1-4-27(33)35-13-18)26-15-41(40-39-26)23-2-3-23)10-24-29(21(12-34)14-36-31(24)25)38-28-19-6-16-5-17(8-19)9-20(28)7-16;1-7-18-14-35-27-21(25(18)36-16-28(3,4)5)12-19(13-23(27)42-6)38-26(20-8-9-24(31)37-17(20)2)22-15-41(40-39-22)29(10-11-29)30(32,33)34;1-7-19-14-33-28-22(26(19)34-17-29(3,4)5)12-20(13-24(28)40-6)36-27(21-8-9-25(31)35-18(21)2)23-15-39(38-37-23)30(16-32)10-11-30;1-40-24-6-3-17(9-21(24)29)35-26-16(11-32)13-34-28-20(26)8-18(10-22(28)30)36-27(15-2-7-25(31)33-12-15)23-14-39(38-37-23)19-4-5-19/h1,4,10-11,13-17,19-20,23,28,30,37,39-40H,2-3,5-9H2,(H,36,38);1,8-9,12-15,26,38-40H,10-11,16H2,2-6H3,(H,35,36);1,8-9,12-15,27,36-38H,10-11,17H2,2-6H3,(H,33,34);2-3,6-10,12-14,19,27,36-38H,4-5H2,1H3,(H,34,35)/t16?,17?,19?,20?,28?,30-;26-;2*27-/m1001/s1/i30D;;;27D.
What are the key properties of 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine?
4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine has a molecular weight of 2274.85 g/mol, XLogP of 23.03, 31 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylamino)-8-chloro-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methoxyanilino)-6-[[(R)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]quinoline-3-carbonitrile;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-methoxyquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carbonitrile;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-methoxyquinoline-4,6-diamine is sourced from PubChem (CID 158218502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).