[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide

C154H197F7N30O15 — CID 158285446

IUPAC[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4OCC)nc3CN)[C@H](CC)C2)c(C(F)(F)F)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1
InChIInChI=1S/C33H40F2N6O3.C32H38F2N6O3.C31H44N6O3.C30H42N6O3.C28H33F3N6O3/c1-5-23-20-40(33(43)24-10-9-21(3)18-26(24)30(34)35)16-17-41(23)28-12-11-27(25-8-7-14-36-32(25)44-6-2)38-29(28)31(42)37-22-13-15-39(4)19-22;1-4-22-19-39(32(42)23-9-8-20(3)17-25(23)29(33)34)15-16-40(22)27-11-10-26(24-7-6-13-36-31(24)43-5-2)38-28(27)30(41)37-21-12-14-35-18-21;1-5-23-21-36(30(39)31(3)14-7-8-15-31)18-19-37(23)26-12-11-25(24-10-9-16-32-29(24)40-6-2)34-27(26)28(38)33-22-13-17-35(4)20-22;1-4-22-20-35(29(38)30(3)13-6-7-14-30)17-18-36(22)25-11-10-24(23-9-8-15-32-28(23)39-5-2)34-26(25)27(37)33-21-12-16-31-19-21;1-4-18-17-36(27(38)20-9-12-24(39-5-2)35-25(20)28(29,30)31)14-15-37(18)23-11-10-21(34-22(23)16-32)19-8-7-13-33-26(19)40-6-3/h7-12,14,18,22-23,30H,5-6,13,15-17,19-20H2,1-4H3,(H,37,42);6-11,13,17,21-22,29,35H,4-5,12,14-16,18-19H2,1-3H3,(H,37,41);9-12,16,22-23H,5-8,13-15,17-21H2,1-4H3,(H,33,38);8-11,15,21-22,31H,4-7,12-14,16-20H2,1-3H3,(H,33,37);7-13,18H,4-6,14-17,32H2,1-3H3/t22-,23-;21-,22-;22-,23-;21-,22-;18-/m11111/s1
InChIKeyGKSLBZKSQPSIMG-BRFPJZIWSA-N
MW2841.45 g/mol
LogP21.76
Rot. Bonds43

About [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide

[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 158285446) has the molecular formula C154H197F7N30O15 and a molecular weight of 2841.45 g/mol. Its IUPAC name is [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID158285446
Molecular FormulaC154H197F7N30O15
Molecular Weight2841.45 g/mol
Exact Mass2839.55
IUPAC Name[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4OCC)nc3CN)[C@H](CC)C2)c(C(F)(F)F)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1
InChIInChI=1S/C33H40F2N6O3.C32H38F2N6O3.C31H44N6O3.C30H42N6O3.C28H33F3N6O3/c1-5-23-20-40(33(43)24-10-9-21(3)18-26(24)30(34)35)16-17-41(23)28-12-11-27(25-8-7-14-36-32(25)44-6-2)38-29(28)31(42)37-22-13-15-39(4)19-22;1-4-22-19-39(32(42)23-9-8-20(3)17-25(23)29(33)34)15-16-40(22)27-11-10-26(24-7-6-13-36-31(24)43-5-2)38-28(27)30(41)37-21-12-14-35-18-21;1-5-23-21-36(30(39)31(3)14-7-8-15-31)18-19-37(23)26-12-11-25(24-10-9-16-32-29(24)40-6-2)34-27(26)28(38)33-22-13-17-35(4)20-22;1-4-22-20-35(29(38)30(3)13-6-7-14-30)17-18-36(22)25-11-10-24(23-9-8-15-32-28(23)39-5-2)34-26(25)27(37)33-21-12-16-31-19-21;1-4-18-17-36(27(38)20-9-12-24(39-5-2)35-25(20)28(29,30)31)14-15-37(18)23-11-10-21(34-22(23)16-32)19-8-7-13-33-26(19)40-6-3/h7-12,14,18,22-23,30H,5-6,13,15-17,19-20H2,1-4H3,(H,37,42);6-11,13,17,21-22,29,35H,4-5,12,14-16,18-19H2,1-3H3,(H,37,41);9-12,16,22-23H,5-8,13-15,17-21H2,1-4H3,(H,33,38);8-11,15,21-22,31H,4-7,12-14,16-20H2,1-3H3,(H,33,37);7-13,18H,4-6,14-17,32H2,1-3H3/t22-,23-;21-,22-;22-,23-;21-,22-;18-/m11111/s1
InChIKeyGKSLBZKSQPSIMG-BRFPJZIWSA-N
XLogP21.76
TPSA487.88 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002841.45
LogP ≤ 521.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2-ethoxypyridin-3-yl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]pyridine-2-carboxamide
CID 146361183
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361195
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[4-(trifluoromethyl)bicyclo[2.2.1]heptane-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361204
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361205
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361209
N-(1-azabicyclo[2.2.1]heptan-4-yl)-6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-2-carboxamide
CID 146361217
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361219
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361226
N-[[(2S)-azetidin-2-yl]methyl]-6-(2-ethoxypyridin-3-yl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]pyridine-2-carboxamide
CID 146361232
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361243
6-(2-ethoxypyridin-3-yl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 146361244
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 146361250

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide (CID 158285446) is [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide is CCOc1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4OCC)nc3CN)[C@H](CC)C2)c(C(F)(F)F)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1.
What is the InChIKey of [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is GKSLBZKSQPSIMG-BRFPJZIWSA-N. The full InChI is InChI=1S/C33H40F2N6O3.C32H38F2N6O3.C31H44N6O3.C30H42N6O3.C28H33F3N6O3/c1-5-23-20-40(33(43)24-10-9-21(3)18-26(24)30(34)35)16-17-41(23)28-12-11-27(25-8-7-14-36-32(25)44-6-2)38-29(28)31(42)37-22-13-15-39(4)19-22;1-4-22-19-39(32(42)23-9-8-20(3)17-25(23)29(33)34)15-16-40(22)27-11-10-26(24-7-6-13-36-31(24)43-5-2)38-28(27)30(41)37-21-12-14-35-18-21;1-5-23-21-36(30(39)31(3)14-7-8-15-31)18-19-37(23)26-12-11-25(24-10-9-16-32-29(24)40-6-2)34-27(26)28(38)33-22-13-17-35(4)20-22;1-4-22-20-35(29(38)30(3)13-6-7-14-30)17-18-36(22)25-11-10-24(23-9-8-15-32-28(23)39-5-2)34-26(25)27(37)33-21-12-16-31-19-21;1-4-18-17-36(27(38)20-9-12-24(39-5-2)35-25(20)28(29,30)31)14-15-37(18)23-11-10-21(34-22(23)16-32)19-8-7-13-33-26(19)40-6-3/h7-12,14,18,22-23,30H,5-6,13,15-17,19-20H2,1-4H3,(H,37,42);6-11,13,17,21-22,29,35H,4-5,12,14-16,18-19H2,1-3H3,(H,37,41);9-12,16,22-23H,5-8,13-15,17-21H2,1-4H3,(H,33,38);8-11,15,21-22,31H,4-7,12-14,16-20H2,1-3H3,(H,33,37);7-13,18H,4-6,14-17,32H2,1-3H3/t22-,23-;21-,22-;22-,23-;21-,22-;18-/m11111/s1.
What are the key properties of [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?
[(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 2841.45 g/mol, XLogP of 21.76, 43 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[2-(aminomethyl)-6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;3-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide;6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclopentanecarbonyl)piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158285446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).