1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

C129H104F15N31O14S — CID 158065061

IUPAC1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
SMILESCCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.CCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3[nH]c(=O)cc3C(F)(F)F)cn2)c1.O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C29H21F3N6O2.C28H26F3N7O3.C28H19F3N6O2.C27H25F3N8O3.C17H13F3N4O4S/c30-29(31,32)25-15-24(22-10-5-13-33-17-22)37-38(25)23-11-12-26(34-18-23)36-28(40)21-9-4-8-20(14-21)27(39)35-16-19-6-2-1-3-7-19;1-2-41-27(40)37-13-11-36(12-14-37)21-7-3-5-19(15-21)26(39)34-25-9-8-22(18-33-25)38-24(28(29,30)31)16-23(35-38)20-6-4-10-32-17-20;29-28(30,31)24-15-23(20-8-5-13-32-16-20)36-37(24)22-11-12-25(33-17-22)35-27(39)19-7-4-6-18(14-19)26(38)34-21-9-2-1-3-10-21;1-2-41-26(40)37-13-11-36(12-14-37)20-7-3-5-18(15-20)25(39)32-23-8-9-24(34-33-23)38-22(27(28,29)30)16-21(35-38)19-6-4-10-31-17-19;1-29(27,28)12-4-2-3-10(7-12)16(26)22-14-6-5-11(9-21-14)24-13(17(18,19)20)8-15(25)23-24/h1-15,17-18H,16H2,(H,35,39)(H,34,36,40);3-10,15-18H,2,11-14H2,1H3,(H,33,34,39);1-17H,(H,34,38)(H,33,35,39);3-10,15-17H,2,11-14H2,1H3,(H,32,33,39);2-9H,1H3,(H,23,25)(H,21,22,26)
InChIKeyFLCWWWVYJCYCBN-UHFFFAOYSA-N
MW2629.49 g/mol
LogP22.77
Rot. Bonds29

About 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 158065061) has the molecular formula C129H104F15N31O14S and a molecular weight of 2629.49 g/mol. Its IUPAC name is 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
PubChem CID158065061
Molecular FormulaC129H104F15N31O14S
Molecular Weight2629.49 g/mol
Exact Mass2627.79
IUPAC Name1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
SMILESCCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.CCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3[nH]c(=O)cc3C(F)(F)F)cn2)c1.O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C29H21F3N6O2.C28H26F3N7O3.C28H19F3N6O2.C27H25F3N8O3.C17H13F3N4O4S/c30-29(31,32)25-15-24(22-10-5-13-33-17-22)37-38(25)23-11-12-26(34-18-23)36-28(40)21-9-4-8-20(14-21)27(39)35-16-19-6-2-1-3-7-19;1-2-41-27(40)37-13-11-36(12-14-37)21-7-3-5-19(15-21)26(39)34-25-9-8-22(18-33-25)38-24(28(29,30)31)16-23(35-38)20-6-4-10-32-17-20;29-28(30,31)24-15-23(20-8-5-13-32-16-20)36-37(24)22-11-12-25(33-17-22)35-27(39)19-7-4-6-18(14-19)26(38)34-21-9-2-1-3-10-21;1-2-41-26(40)37-13-11-36(12-14-37)20-7-3-5-18(15-20)25(39)32-23-8-9-24(34-33-23)38-22(27(28,29)30)16-21(35-38)19-6-4-10-31-17-19;1-29(27,28)12-4-2-3-10(7-12)16(26)22-14-6-5-11(9-21-14)24-13(17(18,19)20)8-15(25)23-24/h1-15,17-18H,16H2,(H,35,39)(H,34,36,40);3-10,15-18H,2,11-14H2,1H3,(H,33,34,39);1-17H,(H,34,38)(H,33,35,39);3-10,15-17H,2,11-14H2,1H3,(H,32,33,39);2-9H,1H3,(H,23,25)(H,21,22,26)
InChIKeyFLCWWWVYJCYCBN-UHFFFAOYSA-N
XLogP22.77
TPSA541.37 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002629.49
LogP ≤ 522.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[4-(methylcarbamoyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(morpholine-4-carbonyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-oxo-1-(pyridin-3-ylmethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-piperidin-1-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 157886874
1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 159625121
ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-4-carboxylate;1-N-(pyridin-2-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-(pyridin-4-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-pyridin-3-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-4-carboxylic acid
CID 159679186
1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-4-carboxylate;6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(pyridin-3-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 159948535
1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 160614614

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (CID 158065061) is 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is CCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.CCOC(=O)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3[nH]c(=O)cc3C(F)(F)F)cn2)c1.O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.
What is the InChIKey of 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?
The InChIKey is FLCWWWVYJCYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N6O2.C28H26F3N7O3.C28H19F3N6O2.C27H25F3N8O3.C17H13F3N4O4S/c30-29(31,32)25-15-24(22-10-5-13-33-17-22)37-38(25)23-11-12-26(34-18-23)36-28(40)21-9-4-8-20(14-21)27(39)35-16-19-6-2-1-3-7-19;1-2-41-27(40)37-13-11-36(12-14-37)21-7-3-5-19(15-21)26(39)34-25-9-8-22(18-33-25)38-24(28(29,30)31)16-23(35-38)20-6-4-10-32-17-20;29-28(30,31)24-15-23(20-8-5-13-32-16-20)36-37(24)22-11-12-25(33-17-22)35-27(39)19-7-4-6-18(14-19)26(38)34-21-9-2-1-3-10-21;1-2-41-26(40)37-13-11-36(12-14-37)20-7-3-5-18(15-20)25(39)32-23-8-9-24(34-33-23)38-22(27(28,29)30)16-21(35-38)19-6-4-10-31-17-19;1-29(27,28)12-4-2-3-10(7-12)16(26)22-14-6-5-11(9-21-14)24-13(17(18,19)20)8-15(25)23-24/h1-15,17-18H,16H2,(H,35,39)(H,34,36,40);3-10,15-18H,2,11-14H2,1H3,(H,33,34,39);1-17H,(H,34,38)(H,33,35,39);3-10,15-17H,2,11-14H2,1H3,(H,32,33,39);2-9H,1H3,(H,23,25)(H,21,22,26).
What are the key properties of 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?
1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 2629.49 g/mol, XLogP of 22.77, 29 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;ethyl 4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate;ethyl 4-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperazine-1-carboxylate;3-methylsulfonyl-N-[5-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-pyridinyl]benzamide;1-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 158065061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).