4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

C177H174F6N32O11 — CID 157386839

IUPAC4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N2CCN(c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)CC2)nc1.COc1c(N2CCN(c3ccc(C(C)(C)O)c(C(F)(F)F)n3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3ncc(C(C)(C)O)cc3C(F)(F)F)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5ccc(C(C)(C)O)cn5)CC4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5cnc(C(C)(C)O)cn5)C(C)C4)cnc23)cc1
InChIInChI=1S/C31H31N5O.2C30H28F3N5O2.C29H30N6O2.C29H29N5O2.C28H28N6O2/c1-31(2,37)24-12-13-28(33-19-24)36-16-14-35(15-17-36)27-20-34-30-25(22-8-6-21(18-32)7-9-22)4-3-5-26(30)29(27)23-10-11-23;1-29(2,39)21-15-24(30(31,32)33)28(36-17-21)38-13-11-37(12-14-38)25-18-35-26-22(5-4-6-23(26)27(25)40-3)20-9-7-19(16-34)8-10-20;1-29(2,39)23-11-12-25(36-28(23)30(31,32)33)38-15-13-37(14-16-38)24-18-35-26-21(5-4-6-22(26)27(24)40-3)20-9-7-19(17-34)8-10-20;1-19-18-34(13-14-35(19)26-17-31-25(16-32-26)29(2,3)36)24-15-33-27-22(7-6-8-23(27)28(24)37-5)20-9-11-21(30-4)12-10-20;1-29(2,35)21-10-13-26(31-18-21)34-16-14-33(15-17-34)25-19-32-27-23(6-5-7-24(27)28(25)36-4)20-8-11-22(30-3)12-9-20;1-28(2,35)24-17-31-25(18-30-24)34-13-11-33(12-14-34)23-16-32-26-21(5-4-6-22(26)27(23)36-3)20-9-7-19(15-29)8-10-20/h3-9,12-13,19-20,23,37H,10-11,14-17H2,1-2H3;4-10,15,17-18,39H,11-14H2,1-3H3;4-12,18,39H,13-16H2,1-3H3;6-12,15-17,19,36H,13-14,18H2,1-3,5H3;5-13,18-19,35H,14-17H2,1-2,4H3;4-10,16-18,35H,11-14H2,1-3H3
InChIKeyBLNOMRZZVQXYQS-UHFFFAOYSA-N
MW3039.54 g/mol
LogP31.83
Rot. Bonds30

About 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 157386839) has the molecular formula C177H174F6N32O11 and a molecular weight of 3039.54 g/mol. Its IUPAC name is 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID157386839
Molecular FormulaC177H174F6N32O11
Molecular Weight3039.54 g/mol
Exact Mass3037.39
IUPAC Name4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N2CCN(c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)CC2)nc1.COc1c(N2CCN(c3ccc(C(C)(C)O)c(C(F)(F)F)n3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3ncc(C(C)(C)O)cc3C(F)(F)F)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5ccc(C(C)(C)O)cn5)CC4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5cnc(C(C)(C)O)cn5)C(C)C4)cnc23)cc1
InChIInChI=1S/C31H31N5O.2C30H28F3N5O2.C29H30N6O2.C29H29N5O2.C28H28N6O2/c1-31(2,37)24-12-13-28(33-19-24)36-16-14-35(15-17-36)27-20-34-30-25(22-8-6-21(18-32)7-9-22)4-3-5-26(30)29(27)23-10-11-23;1-29(2,39)21-15-24(30(31,32)33)28(36-17-21)38-13-11-37(12-14-38)25-18-35-26-22(5-4-6-23(26)27(25)40-3)20-9-7-19(16-34)8-10-20;1-29(2,39)23-11-12-25(36-28(23)30(31,32)33)38-15-13-37(14-16-38)24-18-35-26-21(5-4-6-22(26)27(24)40-3)20-9-7-19(17-34)8-10-20;1-19-18-34(13-14-35(19)26-17-31-25(16-32-26)29(2,3)36)24-15-33-27-22(7-6-8-23(27)28(24)37-5)20-9-11-21(30-4)12-10-20;1-29(2,35)21-10-13-26(31-18-21)34-16-14-33(15-17-34)25-19-32-27-23(6-5-7-24(27)28(25)36-4)20-8-11-22(30-3)12-9-20;1-28(2,35)24-17-31-25(18-30-24)34-13-11-33(12-14-34)23-16-32-26-21(5-4-6-22(26)27(23)36-3)20-9-7-19(15-29)8-10-20/h3-9,12-13,19-20,23,37H,10-11,14-17H2,1-2H3;4-10,15,17-18,39H,11-14H2,1-3H3;4-12,18,39H,13-16H2,1-3H3;6-12,15-17,19,36H,13-14,18H2,1-3,5H3;5-13,18-19,35H,14-17H2,1-2,4H3;4-10,16-18,35H,11-14H2,1-3H3
InChIKeyBLNOMRZZVQXYQS-UHFFFAOYSA-N
XLogP31.83
TPSA490.75 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003039.54
LogP ≤ 531.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-[(4-Cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 74221266
3-(3-Fluorophenyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-2-methoxy-8-methylquinoline-4-carbonitrile
CID 117869431
6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 117880618
6-[(4-Cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
CID 117880623
6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile
CID 117883986
6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
CID 118005573
6-(Hydroxy(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methyl)-2-methoxy-3-((4-(trifluoromethyl)piperidin-1-yl)methyl)quinoline-4-carbonitrile
CID 118023310
4-[3-[4-[5-(2-Hydroxypropan-2-yl)-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407405
4-[3-[4-[5-(2-Hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407500
4-[3-[2-[[5-(2-Hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518560
6-[Hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-4-carbonitrile
CID 129034246
6-[(6-Cyanopyridin-3-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-4-carbonitrile
CID 129314747

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (CID 157386839) is 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(N2CCN(c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)CC2)nc1.COc1c(N2CCN(c3ccc(C(C)(C)O)c(C(F)(F)F)n3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(N2CCN(c3ncc(C(C)(C)O)cc3C(F)(F)F)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5ccc(C(C)(C)O)cn5)CC4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(N4CCN(c5cnc(C(C)(C)O)cn5)C(C)C4)cnc23)cc1.
What is the InChIKey of 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is BLNOMRZZVQXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O.2C30H28F3N5O2.C29H30N6O2.C29H29N5O2.C28H28N6O2/c1-31(2,37)24-12-13-28(33-19-24)36-16-14-35(15-17-36)27-20-34-30-25(22-8-6-21(18-32)7-9-22)4-3-5-26(30)29(27)23-10-11-23;1-29(2,39)21-15-24(30(31,32)33)28(36-17-21)38-13-11-37(12-14-38)25-18-35-26-22(5-4-6-23(26)27(25)40-3)20-9-7-19(16-34)8-10-20;1-29(2,39)23-11-12-25(36-28(23)30(31,32)33)38-15-13-37(14-16-38)24-18-35-26-21(5-4-6-22(26)27(24)40-3)20-9-7-19(17-34)8-10-20;1-19-18-34(13-14-35(19)26-17-31-25(16-32-26)29(2,3)36)24-15-33-27-22(7-6-8-23(27)28(24)37-5)20-9-11-21(30-4)12-10-20;1-29(2,35)21-10-13-26(31-18-21)34-16-14-33(15-17-34)25-19-32-27-23(6-5-7-24(27)28(25)36-4)20-8-11-22(30-3)12-9-20;1-28(2,35)24-17-31-25(18-30-24)34-13-11-33(12-14-34)23-16-32-26-21(5-4-6-22(26)27(23)36-3)20-9-7-19(15-29)8-10-20/h3-9,12-13,19-20,23,37H,10-11,14-17H2,1-2H3;4-10,15,17-18,39H,11-14H2,1-3H3;4-12,18,39H,13-16H2,1-3H3;6-12,15-17,19,36H,13-14,18H2,1-3,5H3;5-13,18-19,35H,14-17H2,1-2,4H3;4-10,16-18,35H,11-14H2,1-3H3.
What are the key properties of 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 3039.54 g/mol, XLogP of 31.83, 30 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 157386839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).