3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

C169H135BrF22N38O17S — CID 162110546

IUPAC3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESCCOCCn1cc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cn1.CN(C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1)c1ccccn1.CN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1F.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)cn1)c1cccc(Br)c1
InChIInChI=1S/C30H23F3N6O2.C28H20F3N7O2.C24H26F3N5O4.C22H15F4N5O2.C22H17F3N6O2.C22H16F3N5O3S.C21H18BrF3N4O2/c1-38(19-20-7-3-2-4-8-20)29(41)22-10-5-9-21(15-22)28(40)36-27-13-12-24(18-35-27)39-26(30(31,32)33)16-25(37-39)23-11-6-14-34-17-23;1-37(25-9-2-3-13-33-25)27(40)19-7-4-6-18(14-19)26(39)35-24-11-10-21(17-34-24)38-23(28(29,30)31)15-22(36-38)20-8-5-12-32-16-20;1-2-35-12-9-31-15-17(3-6-22(31)33)23(34)29-21-5-4-18(14-28-21)32-20(24(25,26)27)13-19(30-32)16-7-10-36-11-8-16;1-33-18-6-4-13(9-16(18)23)21(32)29-20-7-5-15(12-28-20)31-19(22(24,25)26)10-17(30-31)14-3-2-8-27-11-14;1-2-33-20-8-5-15(12-28-20)21(32)29-19-7-6-16(13-27-19)31-18(22(23,24)25)10-17(30-31)14-4-3-9-26-11-14;1-34(32,33)17-6-2-4-14(10-17)21(31)28-16-7-8-20(27-13-16)30-19(22(23,24)25)11-18(29-30)15-5-3-9-26-12-15;22-15-3-1-2-14(10-15)20(30)27-19-5-4-16(12-26-19)29-18(21(23,24)25)11-17(28-29)13-6-8-31-9-7-13/h2-18H,19H2,1H3,(H,35,36,40);2-17H,1H3,(H,34,35,39);3-6,13-16H,2,7-12H2,1H3,(H,28,29,34);2-12H,1H3,(H,28,29,32);3-13H,2H2,1H3,(H,27,29,32);2-13H,1H3,(H,28,31);1-5,10-13H,6-9H2,(H,26,27,30)
InChIKeyZGCBHZGBMDDCRI-UHFFFAOYSA-N
MW3500.11 g/mol
LogP33.12
Rot. Bonds41

About 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (PubChem CID 162110546) has the molecular formula C169H135BrF22N38O17S and a molecular weight of 3500.11 g/mol. Its IUPAC name is 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
PubChem CID162110546
Molecular FormulaC169H135BrF22N38O17S
Molecular Weight3500.11 g/mol
Exact Mass3496.94
IUPAC Name3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESCCOCCn1cc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cn1.CN(C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1)c1ccccn1.CN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1F.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)cn1)c1cccc(Br)c1
InChIInChI=1S/C30H23F3N6O2.C28H20F3N7O2.C24H26F3N5O4.C22H15F4N5O2.C22H17F3N6O2.C22H16F3N5O3S.C21H18BrF3N4O2/c1-38(19-20-7-3-2-4-8-20)29(41)22-10-5-9-21(15-22)28(40)36-27-13-12-24(18-35-27)39-26(30(31,32)33)16-25(37-39)23-11-6-14-34-17-23;1-37(25-9-2-3-13-33-25)27(40)19-7-4-6-18(14-19)26(39)35-24-11-10-21(17-34-24)38-23(28(29,30)31)15-22(36-38)20-8-5-12-32-16-20;1-2-35-12-9-31-15-17(3-6-22(31)33)23(34)29-21-5-4-18(14-28-21)32-20(24(25,26)27)13-19(30-32)16-7-10-36-11-8-16;1-33-18-6-4-13(9-16(18)23)21(32)29-20-7-5-15(12-28-20)31-19(22(24,25)26)10-17(30-31)14-3-2-8-27-11-14;1-2-33-20-8-5-15(12-28-20)21(32)29-19-7-6-16(13-27-19)31-18(22(23,24)25)10-17(30-31)14-4-3-9-26-11-14;1-34(32,33)17-6-2-4-14(10-17)21(31)28-16-7-8-20(27-13-16)30-19(22(23,24)25)11-18(29-30)15-5-3-9-26-12-15;22-15-3-1-2-14(10-15)20(30)27-19-5-4-16(12-26-19)29-18(21(23,24)25)11-17(28-29)13-6-8-31-9-7-13/h2-18H,19H2,1H3,(H,35,36,40);2-17H,1H3,(H,34,35,39);3-6,13-16H,2,7-12H2,1H3,(H,28,29,34);2-12H,1H3,(H,28,29,32);3-13H,2H2,1H3,(H,27,29,32);2-13H,1H3,(H,28,31);1-5,10-13H,6-9H2,(H,26,27,30)
InChIKeyZGCBHZGBMDDCRI-UHFFFAOYSA-N
XLogP33.12
TPSA651.81 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds41
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003500.11
LogP ≤ 533.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (CID 162110546) is 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is CCOCCn1cc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cn1.CN(C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1)c1ccccn1.CN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1F.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)cn1)c1cccc(Br)c1.
What is the InChIKey of 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The InChIKey is ZGCBHZGBMDDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6O2.C28H20F3N7O2.C24H26F3N5O4.C22H15F4N5O2.C22H17F3N6O2.C22H16F3N5O3S.C21H18BrF3N4O2/c1-38(19-20-7-3-2-4-8-20)29(41)22-10-5-9-21(15-22)28(40)36-27-13-12-24(18-35-27)39-26(30(31,32)33)16-25(37-39)23-11-6-14-34-17-23;1-37(25-9-2-3-13-33-25)27(40)19-7-4-6-18(14-19)26(39)35-24-11-10-21(17-34-24)38-23(28(29,30)31)15-22(36-38)20-8-5-12-32-16-20;1-2-35-12-9-31-15-17(3-6-22(31)33)23(34)29-21-5-4-18(14-28-21)32-20(24(25,26)27)13-19(30-32)16-7-10-36-11-8-16;1-33-18-6-4-13(9-16(18)23)21(32)29-20-7-5-15(12-28-20)31-19(22(24,25)26)10-17(30-31)14-3-2-8-27-11-14;1-2-33-20-8-5-15(12-28-20)21(32)29-19-7-6-16(13-27-19)31-18(22(23,24)25)10-17(30-31)14-4-3-9-26-11-14;1-34(32,33)17-6-2-4-14(10-17)21(31)28-16-7-8-20(27-13-16)30-19(22(23,24)25)11-18(29-30)15-5-3-9-26-12-15;22-15-3-1-2-14(10-15)20(30)27-19-5-4-16(12-26-19)29-18(21(23,24)25)11-17(28-29)13-6-8-31-9-7-13/h2-18H,19H2,1H3,(H,35,36,40);2-17H,1H3,(H,34,35,39);3-6,13-16H,2,7-12H2,1H3,(H,28,29,34);2-12H,1H3,(H,28,29,32);3-13H,2H2,1H3,(H,27,29,32);2-13H,1H3,(H,28,31);1-5,10-13H,6-9H2,(H,26,27,30).
What are the key properties of 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide has a molecular weight of 3500.11 g/mol, XLogP of 33.12, 41 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 162110546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).