1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

C131H144F3N29O7S2 — CID 159490975

IUPAC1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
SMILESCCC(CC)c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCCCC2)n1.N[C@H]1CCCN(c2ccncc2CC(=O)c2cccc(-c3nccs3)n2)C1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2nccs2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C23H22F2N4O.C23H23FN4O.C23H25N5O2.C22H31N5O.C20H22N6OS.C20H21N5OS/c24-16-5-4-6-17(25)22(16)19-8-7-18(26)23(28-19)21(30)13-15-14-27-10-9-20(15)29-11-2-1-3-12-29;24-18-7-3-2-6-17(18)20-9-8-19(25)23(27-20)22(29)14-16-15-26-11-10-21(16)28-12-4-1-5-13-28;1-30-23-17(6-5-10-26-23)19-8-7-18(24)22(27-19)21(29)14-16-15-25-11-9-20(16)28-12-3-2-4-13-28;1-3-15(4-2)19-8-7-18(24)22(26-19)21(28)12-16-13-25-10-9-20(16)27-11-5-6-17(23)14-27;21-14-2-1-8-26(12-14)17-5-6-23-11-13(17)10-18(27)19-15(22)3-4-16(25-19)20-24-7-9-28-20;21-15-3-2-9-25(13-15)18-6-7-22-12-14(18)11-19(26)16-4-1-5-17(24-16)20-23-8-10-27-20/h4-10,14H,1-3,11-13,26H2;2-3,6-11,15H,1,4-5,12-14,25H2;5-11,15H,2-4,12-14,24H2,1H3;7-10,13,15,17H,3-6,11-12,14,23-24H2,1-2H3;3-7,9,11,14H,1-2,8,10,12,21-22H2;1,4-8,10,12,15H,2-3,9,11,13,21H2/t;;;17-;14-;15-/m...000/s1
InChIKeyLYENFICFGFILBI-TWHIJEPSSA-N
MW2357.92 g/mol
LogP21.05
Rot. Bonds33

About 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (PubChem CID 159490975) has the molecular formula C131H144F3N29O7S2 and a molecular weight of 2357.92 g/mol. Its IUPAC name is 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
PubChem CID159490975
Molecular FormulaC131H144F3N29O7S2
Molecular Weight2357.92 g/mol
Exact Mass2356.12
IUPAC Name1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
SMILESCCC(CC)c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCCCC2)n1.N[C@H]1CCCN(c2ccncc2CC(=O)c2cccc(-c3nccs3)n2)C1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2nccs2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C23H22F2N4O.C23H23FN4O.C23H25N5O2.C22H31N5O.C20H22N6OS.C20H21N5OS/c24-16-5-4-6-17(25)22(16)19-8-7-18(26)23(28-19)21(30)13-15-14-27-10-9-20(15)29-11-2-1-3-12-29;24-18-7-3-2-6-17(18)20-9-8-19(25)23(27-20)22(29)14-16-15-26-11-10-21(16)28-12-4-1-5-13-28;1-30-23-17(6-5-10-26-23)19-8-7-18(24)22(27-19)21(29)14-16-15-25-11-9-20(16)28-12-3-2-4-13-28;1-3-15(4-2)19-8-7-18(24)22(26-19)21(28)12-16-13-25-10-9-20(16)27-11-5-6-17(23)14-27;21-14-2-1-8-26(12-14)17-5-6-23-11-13(17)10-18(27)19-15(22)3-4-16(25-19)20-24-7-9-28-20;21-15-3-2-9-25(13-15)18-6-7-22-12-14(18)11-19(26)16-4-1-5-17(24-16)20-23-8-10-27-20/h4-10,14H,1-3,11-13,26H2;2-3,6-11,15H,1,4-5,12-14,25H2;5-11,15H,2-4,12-14,24H2,1H3;7-10,13,15,17H,3-6,11-12,14,23-24H2,1-2H3;3-7,9,11,14H,1-2,8,10,12,21-22H2;1,4-8,10,12,15H,2-3,9,11,13,21H2/t;;;17-;14-;15-/m...000/s1
InChIKeyLYENFICFGFILBI-TWHIJEPSSA-N
XLogP21.05
TPSA532.60 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002357.92
LogP ≤ 521.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[6-[2-[4-[3-[4-[2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxoethyl]piperidine-1-carbonyl]cyclobutyl]piperazin-1-yl]ethoxy]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 154684300
[(2S)-1-[[(1S)-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-[1-[3-[4-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethyl]piperazin-1-yl]cyclobutanecarbonyl]piperidin-4-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 155060144
1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone
CID 158309245
N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 159120113
(5-Benzamido-2-pyridinyl) 4-[3-(5-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 161132000
1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]ethanone;2-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-1-[6-(2,6-difluoro-4-methoxyphenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-1-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethanone;2-[4-[(1S,3S,4R,5R)-3-amino-5-methyl-4-(pyridin-2-ylmethyl)cyclohexyl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
CID 161587671
1-[3-amino-6-(3-chlorothiophen-2-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-methyl-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-phenylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-thiophen-2-yl-2-pyridinyl)ethanone
CID 161920152
3-(5-carbamoyl-6-methoxy-3-pyridinyl)-2-oxopropanoic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-2-[2-(1-ethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;2-(1-ethylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole;methane
CID 164961280
3-(5-carbamoyl-6-methoxy-3-pyridinyl)-2-oxopropanoic acid;deuterio(fluoro)methane;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole
CID 164985823
3-(5-carbamoyl-6-methoxy-3-pyridinyl)-2-oxopropanoic acid;deuterio(fluoro)methane;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 165103789

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (CID 159490975) is 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is CCC(CC)c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCCCC2)n1.N[C@H]1CCCN(c2ccncc2CC(=O)c2cccc(-c3nccs3)n2)C1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2ccccc2F)nc1C(=O)Cc1cnccc1N1CCCCC1.Nc1ccc(-c2nccs2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The InChIKey is LYENFICFGFILBI-TWHIJEPSSA-N. The full InChI is InChI=1S/C23H22F2N4O.C23H23FN4O.C23H25N5O2.C22H31N5O.C20H22N6OS.C20H21N5OS/c24-16-5-4-6-17(25)22(16)19-8-7-18(26)23(28-19)21(30)13-15-14-27-10-9-20(15)29-11-2-1-3-12-29;24-18-7-3-2-6-17(18)20-9-8-19(25)23(27-20)22(29)14-16-15-26-11-10-21(16)28-12-4-1-5-13-28;1-30-23-17(6-5-10-26-23)19-8-7-18(24)22(27-19)21(29)14-16-15-25-11-9-20(16)28-12-3-2-4-13-28;1-3-15(4-2)19-8-7-18(24)22(26-19)21(28)12-16-13-25-10-9-20(16)27-11-5-6-17(23)14-27;21-14-2-1-8-26(12-14)17-5-6-23-11-13(17)10-18(27)19-15(22)3-4-16(25-19)20-24-7-9-28-20;21-15-3-2-9-25(13-15)18-6-7-22-12-14(18)11-19(26)16-4-1-5-17(24-16)20-23-8-10-27-20/h4-10,14H,1-3,11-13,26H2;2-3,6-11,15H,1,4-5,12-14,25H2;5-11,15H,2-4,12-14,24H2,1H3;7-10,13,15,17H,3-6,11-12,14,23-24H2,1-2H3;3-7,9,11,14H,1-2,8,10,12,21-22H2;1,4-8,10,12,15H,2-3,9,11,13,21H2/t;;;17-;14-;15-/m...000/s1.
What are the key properties of 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone has a molecular weight of 2357.92 g/mol, XLogP of 21.05, 33 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-(4-piperidin-1-yl-3-pyridinyl)ethanone;1-(3-amino-6-pentan-3-yl-2-pyridinyl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 159490975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).