[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

C154H132ClF15N30O15 — CID 159025900

IUPAC[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(C#N)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1
InChIInChI=1S/C30H28ClF6N5O.C27H23N5O3.C25H21N5O3.2C24H20F3N5O3.C24H20F3N5O2/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;1-5-33-23-20(13-26)19-12-17(8-11-21(19)29-24(23)32-4)25(31,22-14-28-15-30(22)3)16-6-9-18(27-2)10-7-16;2*1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-4-16-18(11-28)17-9-14(5-6-19(17)31-22(16)34-3)23(33,21-12-29-13-32(21)2)15-7-8-30-20(10-15)24(25,26)27/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;6-12,14-15,31H,5H2,1,3-4H3;2*5-10,12-13,33H,4H2,1-3H3;5-10,12-13,33H,4H2,1-3H3
InChIKeyJUGVLNDLAVPESH-UHFFFAOYSA-N
MW2963.37 g/mol
LogP27.53
Rot. Bonds36

About [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 159025900) has the molecular formula C154H132ClF15N30O15 and a molecular weight of 2963.37 g/mol. Its IUPAC name is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
PubChem CID159025900
Molecular FormulaC154H132ClF15N30O15
Molecular Weight2963.37 g/mol
Exact Mass2960.99
IUPAC Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(C#N)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1
InChIInChI=1S/C30H28ClF6N5O.C27H23N5O3.C25H21N5O3.2C24H20F3N5O3.C24H20F3N5O2/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;1-5-33-23-20(13-26)19-12-17(8-11-21(19)29-24(23)32-4)25(31,22-14-28-15-30(22)3)16-6-9-18(27-2)10-7-16;2*1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-4-16-18(11-28)17-9-14(5-6-19(17)31-22(16)34-3)23(33,21-12-29-13-32(21)2)15-7-8-30-20(10-15)24(25,26)27/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;6-12,14-15,31H,5H2,1,3-4H3;2*5-10,12-13,33H,4H2,1-3H3;5-10,12-13,33H,4H2,1-3H3
InChIKeyJUGVLNDLAVPESH-UHFFFAOYSA-N
XLogP27.53
TPSA571.18 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.37
LogP ≤ 527.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile with MolForge

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Related Compounds

US10201546, Example 88b
CID 138805765
US10201546, Example 88c
CID 138805766
US10201546, Example 217c
CID 138805885
US10201546, Example 217b
CID 138805884
[4-Chloro-3-phenyl-2-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118005596
[4-Chloro-3-(cyclopropylmethoxy)-2-methoxy-6-quinolyl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridyl]methanol
CID 118022306
[4-Chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl](1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 118022449
[4-Chloro-2-methoxy-3-(pyridin-3-ylmethoxy)quinolin-6-yl](1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 118022506
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxy-3-(2,2,2-trifluoroethoxy)quinoline-4-carbonitrile
CID 118022521
[2-[[5-[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]oxy-1-methylpiperidin-2-yl]methoxy]-4-chloro-3-[(2,2-difluorocyclopropyl)methoxy]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035464
(4-Chlorophenyl)-[2,4-dichloro-8-[[5-[[4-chloro-2-methoxy-3-(1-methylpiperidin-3-yl)oxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-1-methylimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 129035486
[4-Chloro-3-[[3-[1-[4-chloro-6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-propan-2-yloxyquinolin-2-yl]azetidin-3-yl]-2,2-difluorocyclopropyl]methoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 129314877

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 159025900) is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.
What is the SMILES notation for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The canonical SMILES for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CCc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(C#N)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1.
What is the InChIKey of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The InChIKey is JUGVLNDLAVPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF6N5O.C27H23N5O3.C25H21N5O3.2C24H20F3N5O3.C24H20F3N5O2/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;1-5-33-23-20(13-26)19-12-17(8-11-21(19)29-24(23)32-4)25(31,22-14-28-15-30(22)3)16-6-9-18(27-2)10-7-16;2*1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-4-16-18(11-28)17-9-14(5-6-19(17)31-22(16)34-3)23(33,21-12-29-13-32(21)2)15-7-8-30-20(10-15)24(25,26)27/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;6-12,14-15,31H,5H2,1,3-4H3;2*5-10,12-13,33H,4H2,1-3H3;5-10,12-13,33H,4H2,1-3H3.
What are the key properties of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 2963.37 g/mol, XLogP of 27.53, 36 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;bis(3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile);3-ethyl-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 159025900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).