1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate

C169H142F18N34O12 — CID 158577192

IUPAC1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(C)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)cn2)CC1.COC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)nc2)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(F)c1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(-n2ccccc2=O)cn1
InChIInChI=1S/C26H26F3N5O2.C25H23F4N5O3.C25H23F4N5O2.C25H18F4N4O.C24H19FN4O.C22H17FN6O.C22H16FN5O2/c1-17-13-19(15-32-25(17)20-7-8-30-24(14-20)26(27,28)29)3-6-23(36)22-5-4-21(16-31-22)34-11-9-33(10-12-34)18(2)35;1-37-24(36)34-10-8-33(9-11-34)18-3-4-20(31-15-18)21(35)5-2-16-12-19(26)23(32-14-16)17-6-7-30-22(13-17)25(27,28)29;1-16(35)33-8-10-34(11-9-33)23-5-3-19(15-31-23)21(36)4-2-17-12-20(26)24(32-14-17)18-6-7-30-22(13-18)25(27,28)29;1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)19-5-6-21(31-14-19)17-3-2-4-20(26)10-17;1-16-11-18(9-10-26-16)19-5-7-22(27-13-19)15-29-24(30)23-8-6-20(14-28-23)17-3-2-4-21(25)12-17;1-14-9-15(11-26-21(14)16-6-8-24-20(23)10-16)12-27-22(30)17-4-5-18(25-13-17)19-3-2-7-28-29-19;23-20-11-16(8-9-24-20)18-6-4-15(12-25-18)13-27-22(30)19-7-5-17(14-26-19)28-10-2-1-3-21(28)29/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3;3-4,6-7,12-15H,2,5,8-11H2,1H3;3,5-7,12-15H,2,4,8-11H2,1H3;2-12,14H,13H2,1H3,(H,33,34);2-14H,15H2,1H3,(H,29,30);2-11,13H,12H2,1H3,(H,27,30);1-12,14H,13H2,(H,27,30)
InChIKeyHSUOHYZUSQJAKR-UHFFFAOYSA-N
MW3183.18 g/mol
LogP29.25
Rot. Bonds38

About 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate

1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 158577192) has the molecular formula C169H142F18N34O12 and a molecular weight of 3183.18 g/mol. Its IUPAC name is 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID158577192
Molecular FormulaC169H142F18N34O12
Molecular Weight3183.18 g/mol
Exact Mass3181.13
IUPAC Name1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(C)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)cn2)CC1.COC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)nc2)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(F)c1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(-n2ccccc2=O)cn1
InChIInChI=1S/C26H26F3N5O2.C25H23F4N5O3.C25H23F4N5O2.C25H18F4N4O.C24H19FN4O.C22H17FN6O.C22H16FN5O2/c1-17-13-19(15-32-25(17)20-7-8-30-24(14-20)26(27,28)29)3-6-23(36)22-5-4-21(16-31-22)34-11-9-33(10-12-34)18(2)35;1-37-24(36)34-10-8-33(9-11-34)18-3-4-20(31-15-18)21(35)5-2-16-12-19(26)23(32-14-16)17-6-7-30-22(13-17)25(27,28)29;1-16(35)33-8-10-34(11-9-33)23-5-3-19(15-31-23)21(36)4-2-17-12-20(26)24(32-14-17)18-6-7-30-22(13-18)25(27,28)29;1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)19-5-6-21(31-14-19)17-3-2-4-20(26)10-17;1-16-11-18(9-10-26-16)19-5-7-22(27-13-19)15-29-24(30)23-8-6-20(14-28-23)17-3-2-4-21(25)12-17;1-14-9-15(11-26-21(14)16-6-8-24-20(23)10-16)12-27-22(30)17-4-5-18(25-13-17)19-3-2-7-28-29-19;23-20-11-16(8-9-24-20)18-6-4-15(12-25-18)13-27-22(30)19-7-5-17(14-26-19)28-10-2-1-3-21(28)29/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3;3-4,6-7,12-15H,2,5,8-11H2,1H3;3,5-7,12-15H,2,4,8-11H2,1H3;2-12,14H,13H2,1H3,(H,33,34);2-14H,15H2,1H3,(H,29,30);2-11,13H,12H2,1H3,(H,27,30);1-12,14H,13H2,(H,27,30)
InChIKeyHSUOHYZUSQJAKR-UHFFFAOYSA-N
XLogP29.25
TPSA565.96 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.18
LogP ≤ 529.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(5-Methyl-2-phenyltriazol-4-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098955
US12319655, Example 363
CID 168930109
Methyl 4-[5-[[5-fluoro-6-[2-(trifluoromethyl)pyridin-4-yl]pyridin-3-yl]methylcarbamoyl]pyridin-2-yl]piperazine-1-carboxylate
CID 56598623
2-[2-(3-fluorophenyl)ethylamino]-6-[6-[2-(3-fluorophenyl)ethylamino]-5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 57543073
6-[5-(2-amino-2-oxo-1-pyridin-3-ylethyl)-6-[2-(3-fluorophenyl)ethylamino]-2-pyridinyl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 67101814
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
CID 67436500
2-[2-(3-fluorophenyl)ethylamino]-6-[6-[2-(3-fluorophenyl)ethylamino]-5-[formyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87269702
Bis[5-[2-(4-fluoropyrimidin-2-yl)piperazin-1-yl]-4-methyl-6-phenylpyridazin-3-yl]methanone
CID 89801766
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[(4-phenylpiperazin-1-yl)methyl]pyrazol-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117925848
2-fluoro-3-pyridazin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154928
4-fluoro-3-pyridazin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154932
[5-Methyl-2-[2-[[3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-4-yl]methyl]-4-pyridinyl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123407128

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate (CID 158577192) is 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate is CC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(C)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)cn2)CC1.COC(=O)N1CCN(c2ccc(C(=O)CCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)nc2)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(F)c1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(-n2ccccc2=O)cn1.
What is the InChIKey of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is HSUOHYZUSQJAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2.C25H23F4N5O3.C25H23F4N5O2.C25H18F4N4O.C24H19FN4O.C22H17FN6O.C22H16FN5O2/c1-17-13-19(15-32-25(17)20-7-8-30-24(14-20)26(27,28)29)3-6-23(36)22-5-4-21(16-31-22)34-11-9-33(10-12-34)18(2)35;1-37-24(36)34-10-8-33(9-11-34)18-3-4-20(31-15-18)21(35)5-2-16-12-19(26)23(32-14-16)17-6-7-30-22(13-17)25(27,28)29;1-16(35)33-8-10-34(11-9-33)23-5-3-19(15-31-23)21(36)4-2-17-12-20(26)24(32-14-17)18-6-7-30-22(13-18)25(27,28)29;1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)19-5-6-21(31-14-19)17-3-2-4-20(26)10-17;1-16-11-18(9-10-26-16)19-5-7-22(27-13-19)15-29-24(30)23-8-6-20(14-28-23)17-3-2-4-21(25)12-17;1-14-9-15(11-26-21(14)16-6-8-24-20(23)10-16)12-27-22(30)17-4-5-18(25-13-17)19-3-2-7-28-29-19;23-20-11-16(8-9-24-20)18-6-4-15(12-25-18)13-27-22(30)19-7-5-17(14-26-19)28-10-2-1-3-21(28)29/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3;3-4,6-7,12-15H,2,5,8-11H2,1H3;3,5-7,12-15H,2,4,8-11H2,1H3;2-12,14H,13H2,1H3,(H,33,34);2-14H,15H2,1H3,(H,29,30);2-11,13H,12H2,1H3,(H,27,30);1-12,14H,13H2,(H,27,30).
What are the key properties of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate?
1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 3183.18 g/mol, XLogP of 29.25, 38 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one;5-(3-fluorophenyl)-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]-5-(2-oxo-1-pyridinyl)pyridine-2-carboxamide;methyl 4-[6-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 158577192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).