1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C137H152ClF4N23O6 — CID 161236928

IUPAC1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC(c1ccccc1)C(O)Cn1cc(-c2cc(Cl)cnc2N)nn1.CC(c1cnc2ccccc2c1)C(F)CNc1cnc2ccccc2c1.CCCN1CC(C(C)c2ccccc2OC)N(c2cccnc2)C1=O.CCOc1cc(C(C)C)n(C(CNc2cnc3ccccc3c2)C(C)c2cccnc2C)n1.CCOc1cc(C)n(C(CNc2cnc3ccccc3c2)C(C)c2ccccc2C)n1.Cc1cc(-c2ccccc2)nn1C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)C1C(C)C
InChIInChI=1S/C27H33N5O.C26H30N4O.C25H26F3N3O.C22H20FN3.C20H25N3O2.C17H18ClN5O/c1-6-33-27-15-25(18(2)3)32(31-27)26(19(4)23-11-9-13-28-20(23)5)17-29-22-14-21-10-7-8-12-24(21)30-16-22;1-5-31-26-14-19(3)30(29-26)25(20(4)23-12-8-6-10-18(23)2)17-27-22-15-21-11-7-9-13-24(21)28-16-22;1-16(2)23-22(31-17(3)12-21(29-31)19-9-5-4-6-10-19)15-30(24(23)32)14-18-8-7-11-20(13-18)25(26,27)28;1-15(18-10-16-6-2-4-8-21(16)25-12-18)20(23)14-24-19-11-17-7-3-5-9-22(17)26-13-19;1-4-12-22-14-18(15(2)17-9-5-6-10-19(17)25-3)23(20(22)24)16-8-7-11-21-13-16;1-11(12-5-3-2-4-6-12)16(24)10-23-9-15(21-22-23)14-7-13(18)8-20-17(14)19/h7-16,18-19,26,29H,6,17H2,1-5H3;6-16,20,25,27H,5,17H2,1-4H3;4-13,16,22-23H,14-15H2,1-3H3;2-13,15,20,24H,14H2,1H3;5-11,13,15,18H,4,12,14H2,1-3H3;2-9,11,16,24H,10H2,1H3,(H2,19,20)
InChIKeyUZMNJBAWPYOCNC-UHFFFAOYSA-N
MW2328.32 g/mol
LogP29.74
Rot. Bonds38

About 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 161236928) has the molecular formula C137H152ClF4N23O6 and a molecular weight of 2328.32 g/mol. Its IUPAC name is 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID161236928
Molecular FormulaC137H152ClF4N23O6
Molecular Weight2328.32 g/mol
Exact Mass2326.19
IUPAC Name1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC(c1ccccc1)C(O)Cn1cc(-c2cc(Cl)cnc2N)nn1.CC(c1cnc2ccccc2c1)C(F)CNc1cnc2ccccc2c1.CCCN1CC(C(C)c2ccccc2OC)N(c2cccnc2)C1=O.CCOc1cc(C(C)C)n(C(CNc2cnc3ccccc3c2)C(C)c2cccnc2C)n1.CCOc1cc(C)n(C(CNc2cnc3ccccc3c2)C(C)c2ccccc2C)n1.Cc1cc(-c2ccccc2)nn1C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)C1C(C)C
InChIInChI=1S/C27H33N5O.C26H30N4O.C25H26F3N3O.C22H20FN3.C20H25N3O2.C17H18ClN5O/c1-6-33-27-15-25(18(2)3)32(31-27)26(19(4)23-11-9-13-28-20(23)5)17-29-22-14-21-10-7-8-12-24(21)30-16-22;1-5-31-26-14-19(3)30(29-26)25(20(4)23-12-8-6-10-18(23)2)17-27-22-15-21-11-7-9-13-24(21)28-16-22;1-16(2)23-22(31-17(3)12-21(29-31)19-9-5-4-6-10-19)15-30(24(23)32)14-18-8-7-11-20(13-18)25(26,27)28;1-15(18-10-16-6-2-4-8-21(16)25-12-18)20(23)14-24-19-11-17-7-3-5-9-22(17)26-13-19;1-4-12-22-14-18(15(2)17-9-5-6-10-19(17)25-3)23(20(22)24)16-8-7-11-21-13-16;1-11(12-5-3-2-4-6-12)16(24)10-23-9-15(21-22-23)14-7-13(18)8-20-17(14)19/h7-16,18-19,26,29H,6,17H2,1-5H3;6-16,20,25,27H,5,17H2,1-4H3;4-13,16,22-23H,14-15H2,1-3H3;2-13,15,20,24H,14H2,1H3;5-11,13,15,18H,4,12,14H2,1-3H3;2-9,11,16,24H,10H2,1H3,(H2,19,20)
InChIKeyUZMNJBAWPYOCNC-UHFFFAOYSA-N
XLogP29.74
TPSA328.29 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.32
LogP ≤ 529.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
CID 157354430
(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-methyl-1-quinolin-4-yloxypropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157864826
1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-phenylbutyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 161058061
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 161452790
[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(2,2-difluoropentan-3-ylamino)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)methanol;[4-chloro-3-[[2,2-difluoropropyl(methyl)amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 161737598
[4-Chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(2,2-difluoropentan-3-ylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2,2-difluoropropyl(methyl)amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(6-isocyano-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
CID 162206647
[6-amino-2-[8-[[4-[1-[(2S)-1-[(2S)-2-[[(1R)-1-[4-(5-chloropyrimidin-4-yl)phenyl]-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]triazol-4-yl]phenyl]methoxy]-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(oxan-4-yloxy)-6-(trifluoromethyl)quinazolin-7-yl]-4-fluoro-3-methylphenyl]methylideneazanium
CID 170955202
(2S,4R)-N-[(1R)-1-[4-(3-chloro-2-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955365
(2S)-N-[(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[4-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955914
(2S)-1-[(2S)-2-[4-[4-[[7-(3-amino-5-fluoro-2-methanimidoyl-6-methylphenyl)-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(oxan-4-yloxy)-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-1-[4-(5-chloropyrimidin-4-yl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170955203
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 157173723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 161236928) is 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is CC(c1ccccc1)C(O)Cn1cc(-c2cc(Cl)cnc2N)nn1.CC(c1cnc2ccccc2c1)C(F)CNc1cnc2ccccc2c1.CCCN1CC(C(C)c2ccccc2OC)N(c2cccnc2)C1=O.CCOc1cc(C(C)C)n(C(CNc2cnc3ccccc3c2)C(C)c2cccnc2C)n1.CCOc1cc(C)n(C(CNc2cnc3ccccc3c2)C(C)c2ccccc2C)n1.Cc1cc(-c2ccccc2)nn1C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)C1C(C)C.
What is the InChIKey of 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is UZMNJBAWPYOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O.C26H30N4O.C25H26F3N3O.C22H20FN3.C20H25N3O2.C17H18ClN5O/c1-6-33-27-15-25(18(2)3)32(31-27)26(19(4)23-11-9-13-28-20(23)5)17-29-22-14-21-10-7-8-12-24(21)30-16-22;1-5-31-26-14-19(3)30(29-26)25(20(4)23-12-8-6-10-18(23)2)17-27-22-15-21-11-7-9-13-24(21)28-16-22;1-16(2)23-22(31-17(3)12-21(29-31)19-9-5-4-6-10-19)15-30(24(23)32)14-18-8-7-11-20(13-18)25(26,27)28;1-15(18-10-16-6-2-4-8-21(16)25-12-18)20(23)14-24-19-11-17-7-3-5-9-22(17)26-13-19;1-4-12-22-14-18(15(2)17-9-5-6-10-19(17)25-3)23(20(22)24)16-8-7-11-21-13-16;1-11(12-5-3-2-4-6-12)16(24)10-23-9-15(21-22-23)14-7-13(18)8-20-17(14)19/h7-16,18-19,26,29H,6,17H2,1-5H3;6-16,20,25,27H,5,17H2,1-4H3;4-13,16,22-23H,14-15H2,1-3H3;2-13,15,20,24H,14H2,1H3;5-11,13,15,18H,4,12,14H2,1-3H3;2-9,11,16,24H,10H2,1H3,(H2,19,20).
What are the key properties of 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 2328.32 g/mol, XLogP of 29.74, 38 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 161236928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).