3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile

C130H137Br3F22N20O5 — CID 158697751

IUPAC3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
SMILESCN1CCN(c2cncc(OC3CCC(Cc4ccc(C#N)c(C(F)(F)F)c4)CC3)c2)CC1.CN1CCNCC1.FC(F)(F)c1ccc(Br)nc1.Fc1cncc(Br)c1.N#Cc1ccc(CC2CCC(O)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(Br)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCNCC4)c3)CC2)cc1C(F)(F)F
InChIInChI=1S/C30H29F6N5O.C25H29F3N4O.C24H27F3N4O.C20H18BrF3N2O.C15H16F3NO.C6H3BrF3N.C5H3BrFN.C5H12N2/c31-29(32,33)23-5-8-28(39-17-23)41-11-9-40(10-12-41)24-15-26(19-38-18-24)42-25-6-2-20(3-7-25)13-21-1-4-22(16-37)27(14-21)30(34,35)36;1-31-8-10-32(11-9-31)21-14-23(17-30-16-21)33-22-6-3-18(4-7-22)12-19-2-5-20(15-29)24(13-19)25(26,27)28;25-24(26,27)23-12-18(1-4-19(23)14-28)11-17-2-5-21(6-3-17)32-22-13-20(15-30-16-22)31-9-7-29-8-10-31;21-16-9-18(12-26-11-16)27-17-5-2-13(3-6-17)7-14-1-4-15(10-25)19(8-14)20(22,23)24;16-15(17,18)14-8-11(1-4-12(14)9-19)7-10-2-5-13(20)6-3-10;7-5-2-1-4(3-11-5)6(8,9)10;6-4-1-5(7)3-8-2-4;1-7-4-2-6-3-5-7/h1,4-5,8,14-15,17-20,25H,2-3,6-7,9-13H2;2,5,13-14,16-18,22H,3-4,6-12H2,1H3;1,4,12-13,15-17,21,29H,2-3,5-11H2;1,4,8-9,11-13,17H,2-3,5-7H2;1,4,8,10,13,20H,2-3,5-7H2;1-3H;1-3H;6H,2-5H2,1H3
InChIKeyIHDSIPFOHMMWCX-UHFFFAOYSA-N
MW2717.33 g/mol
LogP30.31
Rot. Bonds22

About 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile

3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile (PubChem CID 158697751) has the molecular formula C130H137Br3F22N20O5 and a molecular weight of 2717.33 g/mol. Its IUPAC name is 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile.

Molecular Properties

Compound Name3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
PubChem CID158697751
Molecular FormulaC130H137Br3F22N20O5
Molecular Weight2717.33 g/mol
Exact Mass2712.83
IUPAC Name3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
SMILESCN1CCN(c2cncc(OC3CCC(Cc4ccc(C#N)c(C(F)(F)F)c4)CC3)c2)CC1.CN1CCNCC1.FC(F)(F)c1ccc(Br)nc1.Fc1cncc(Br)c1.N#Cc1ccc(CC2CCC(O)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(Br)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCNCC4)c3)CC2)cc1C(F)(F)F
InChIInChI=1S/C30H29F6N5O.C25H29F3N4O.C24H27F3N4O.C20H18BrF3N2O.C15H16F3NO.C6H3BrF3N.C5H3BrFN.C5H12N2/c31-29(32,33)23-5-8-28(39-17-23)41-11-9-40(10-12-41)24-15-26(19-38-18-24)42-25-6-2-20(3-7-25)13-21-1-4-22(16-37)27(14-21)30(34,35)36;1-31-8-10-32(11-9-31)21-14-23(17-30-16-21)33-22-6-3-18(4-7-22)12-19-2-5-20(15-29)24(13-19)25(26,27)28;25-24(26,27)23-12-18(1-4-19(23)14-28)11-17-2-5-21(6-3-17)32-22-13-20(15-30-16-22)31-9-7-29-8-10-31;21-16-9-18(12-26-11-16)27-17-5-2-13(3-6-17)7-14-1-4-15(10-25)19(8-14)20(22,23)24;16-15(17,18)14-8-11(1-4-12(14)9-19)7-10-2-5-13(20)6-3-10;7-5-2-1-4(3-11-5)6(8,9)10;6-4-1-5(7)3-8-2-4;1-7-4-2-6-3-5-7/h1,4-5,8,14-15,17-20,25H,2-3,6-7,9-13H2;2,5,13-14,16-18,22H,3-4,6-12H2,1H3;1,4,12-13,15-17,21,29H,2-3,5-11H2;1,4,8-9,11-13,17H,2-3,5-7H2;1,4,8,10,13,20H,2-3,5-7H2;1-3H;1-3H;6H,2-5H2,1H3
InChIKeyIHDSIPFOHMMWCX-UHFFFAOYSA-N
XLogP30.31
TPSA309.83 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.33
LogP ≤ 530.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-Bromo-5-(trifluoromethyl)pyridine;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
CID 159850480
4-[[4-[(5-Bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile
CID 161377776
5-(6-Aminopyrimidin-4-yl)-2-fluorobenzonitrile;1-(6-bromo-2-methoxy-3-pyridinyl)-4-methylpiperazine;tert-butyl 4-[2-cyano-4-[6-[[6-methoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;2-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-5-[6-[[6-methoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile;2-fluoro-5-[6-[[6-methoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 162008135
2-[4-[[2-[(1-Aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine
CID 167607601

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile?
The IUPAC name of 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile (CID 158697751) is 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile.
What is the SMILES notation for 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile?
The canonical SMILES for 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile is CN1CCN(c2cncc(OC3CCC(Cc4ccc(C#N)c(C(F)(F)F)c4)CC3)c2)CC1.CN1CCNCC1.FC(F)(F)c1ccc(Br)nc1.Fc1cncc(Br)c1.N#Cc1ccc(CC2CCC(O)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(Br)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c3)CC2)cc1C(F)(F)F.N#Cc1ccc(CC2CCC(Oc3cncc(N4CCNCC4)c3)CC2)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile?
The InChIKey is IHDSIPFOHMMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F6N5O.C25H29F3N4O.C24H27F3N4O.C20H18BrF3N2O.C15H16F3NO.C6H3BrF3N.C5H3BrFN.C5H12N2/c31-29(32,33)23-5-8-28(39-17-23)41-11-9-40(10-12-41)24-15-26(19-38-18-24)42-25-6-2-20(3-7-25)13-21-1-4-22(16-37)27(14-21)30(34,35)36;1-31-8-10-32(11-9-31)21-14-23(17-30-16-21)33-22-6-3-18(4-7-22)12-19-2-5-20(15-29)24(13-19)25(26,27)28;25-24(26,27)23-12-18(1-4-19(23)14-28)11-17-2-5-21(6-3-17)32-22-13-20(15-30-16-22)31-9-7-29-8-10-31;21-16-9-18(12-26-11-16)27-17-5-2-13(3-6-17)7-14-1-4-15(10-25)19(8-14)20(22,23)24;16-15(17,18)14-8-11(1-4-12(14)9-19)7-10-2-5-13(20)6-3-10;7-5-2-1-4(3-11-5)6(8,9)10;6-4-1-5(7)3-8-2-4;1-7-4-2-6-3-5-7/h1,4-5,8,14-15,17-20,25H,2-3,6-7,9-13H2;2,5,13-14,16-18,22H,3-4,6-12H2,1H3;1,4,12-13,15-17,21,29H,2-3,5-11H2;1,4,8-9,11-13,17H,2-3,5-7H2;1,4,8,10,13,20H,2-3,5-7H2;1-3H;1-3H;6H,2-5H2,1H3.
What are the key properties of 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile?
3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile has a molecular weight of 2717.33 g/mol, XLogP of 30.31, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile is sourced from PubChem (CID 158697751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).