[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C81H111F12N17O7 — CID 159024332

IUPAC[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(CN)c1ccccc1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)[C@@H](O)c1ccccc1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22F3N5O.C21H19F3N4O2.C20H22F3N3O3.C18H20F3N5O.14H2/c1-13(16(12-26)14-6-3-2-4-7-14)29-18-10-9-17(22(23,24)25)19(30-18)20(31)15-8-5-11-28-21(15)27;1-12(18(29)13-6-3-2-4-7-13)27-16-10-9-15(21(22,23)24)17(28-16)19(30)14-8-5-11-26-20(14)25;1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;;;;;;;/h2-11,13,16H,12,26H2,1H3,(H2,27,28)(H,29,30);2-12,18,29H,1H3,(H2,25,26)(H,27,28);2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);14*1H/t;12?,18-;;;;;;;;;;;;;;;;/m.1................/s1
InChIKeyJUCHEZIVIYDMNH-OAVPGARFSA-N
MW1662.87 g/mol
LogP17.39
Rot. Bonds23

About [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159024332) has the molecular formula C81H111F12N17O7 and a molecular weight of 1662.87 g/mol. Its IUPAC name is [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID159024332
Molecular FormulaC81H111F12N17O7
Molecular Weight1662.87 g/mol
Exact Mass1661.87
IUPAC Name[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(CN)c1ccccc1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)[C@@H](O)c1ccccc1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22F3N5O.C21H19F3N4O2.C20H22F3N3O3.C18H20F3N5O.14H2/c1-13(16(12-26)14-6-3-2-4-7-14)29-18-10-9-17(22(23,24)25)19(30-18)20(31)15-8-5-11-28-21(15)27;1-12(18(29)13-6-3-2-4-7-13)27-16-10-9-15(21(22,23)24)17(28-16)19(30)14-8-5-11-26-20(14)25;1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;;;;;;;/h2-11,13,16H,12,26H2,1H3,(H2,27,28)(H,29,30);2-12,18,29H,1H3,(H2,25,26)(H,27,28);2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);14*1H/t;12?,18-;;;;;;;;;;;;;;;;/m.1................/s1
InChIKeyJUCHEZIVIYDMNH-OAVPGARFSA-N
XLogP17.39
TPSA379.52 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.87
LogP ≤ 517.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Related Compounds

6-(6-methoxy-2-pyridinyl)-8-[4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;5-[1-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-2-carbonitrile
CID 87191984
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
N-(4-tert-butylphenyl)-2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]pyridine-3-carboxamide;2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87853473
N-[6-methyl-5-[6-[methyl-[[4-[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-2-[(3S)-oxolan-3-yl]oxypyridin-3-yl]morpholin-2-yl]methyl]amino]-5-morpholin-4-ylpyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 130425556
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-(ethylamino)-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 146361212
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157193468
(2-Amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-propylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157195363
[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256502
[6-[(1-Aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylethyl)amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256503
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157280610
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
CID 157330010

Frequently Asked Questions

What is the IUPAC name of [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 159024332) is [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(CN)c1ccccc1.CC(Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)[C@@H](O)c1ccccc1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is JUCHEZIVIYDMNH-OAVPGARFSA-N. The full InChI is InChI=1S/C22H22F3N5O.C21H19F3N4O2.C20H22F3N3O3.C18H20F3N5O.14H2/c1-13(16(12-26)14-6-3-2-4-7-14)29-18-10-9-17(22(23,24)25)19(30-18)20(31)15-8-5-11-28-21(15)27;1-12(18(29)13-6-3-2-4-7-13)27-16-10-9-15(21(22,23)24)17(28-16)19(30)14-8-5-11-26-20(14)25;1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;;;;;;;/h2-11,13,16H,12,26H2,1H3,(H2,27,28)(H,29,30);2-12,18,29H,1H3,(H2,25,26)(H,27,28);2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);14*1H/t;12?,18-;;;;;;;;;;;;;;;;/m.1................/s1.
What are the key properties of [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1662.87 g/mol, XLogP of 17.39, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159024332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).