1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid

C160H129F18N41O19 — CID 159255143

IUPAC1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)C1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCc1ccccc1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)Nc1cccnc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(O)CCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O
InChIInChI=1S/C29H22F3N7O3.C28H26F3N7O3.C27H19F3N8O3.C27H23F3N6O3.C26H22F3N7O3.C23H17F3N6O4/c30-29(31,32)24-13-23(20-7-4-12-33-15-20)37-39(24)22-9-10-25(34-16-22)36-28(42)21-8-11-27(41)38(17-21)18-26(40)35-14-19-5-2-1-3-6-19;1-2-41-27(40)20-8-5-13-37(17-20)21-9-3-6-18(14-21)26(39)33-24-10-11-25(35-34-24)38-23(28(29,30)31)15-22(36-38)19-7-4-12-32-16-19;28-27(29,30)22-11-21(17-3-1-9-31-12-17)36-38(22)20-6-7-23(33-14-20)35-26(41)18-5-8-25(40)37(15-18)16-24(39)34-19-4-2-10-32-13-19;28-27(29,30)23-13-22(18-5-2-10-31-14-18)34-36(23)21-8-9-24(32-15-21)33-25(37)17-4-1-7-20(12-17)35-11-3-6-19(16-35)26(38)39;27-26(28,29)21-13-20(17-5-2-10-30-14-17)34-36(21)23-9-8-22(32-33-23)31-24(37)16-4-1-7-19(12-16)35-11-3-6-18(15-35)25(38)39;24-23(25,26)18-10-17(14-2-1-8-27-11-14)30-32(18)16-4-5-19(28-12-16)29-22(36)15-3-6-20(33)31(13-15)9-7-21(34)35/h1-13,15-17H,14,18H2,(H,35,40)(H,34,36,42);3-4,6-7,9-12,14-16,20H,2,5,8,13,17H2,1H3,(H,33,34,39);1-15H,16H2,(H,34,39)(H,33,35,41);1-2,4-5,7-10,12-15,19H,3,6,11,16H2,(H,38,39)(H,32,33,37);1-2,4-5,7-10,12-14,18H,3,6,11,15H2,(H,38,39)(H,31,32,37);1-6,8,10-13H,7,9H2,(H,34,35)(H,28,29,36)
InChIKeyKVULLFZHOZKUMM-UHFFFAOYSA-N
MW3272.02 g/mol
LogP25.08
Rot. Bonds41

About 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid

1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid (PubChem CID 159255143) has the molecular formula C160H129F18N41O19 and a molecular weight of 3272.02 g/mol. Its IUPAC name is 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid
PubChem CID159255143
Molecular FormulaC160H129F18N41O19
Molecular Weight3272.02 g/mol
Exact Mass3270.01
IUPAC Name1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)C1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCc1ccccc1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)Nc1cccnc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(O)CCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O
InChIInChI=1S/C29H22F3N7O3.C28H26F3N7O3.C27H19F3N8O3.C27H23F3N6O3.C26H22F3N7O3.C23H17F3N6O4/c30-29(31,32)24-13-23(20-7-4-12-33-15-20)37-39(24)22-9-10-25(34-16-22)36-28(42)21-8-11-27(41)38(17-21)18-26(40)35-14-19-5-2-1-3-6-19;1-2-41-27(40)20-8-5-13-37(17-20)21-9-3-6-18(14-21)26(39)33-24-10-11-25(35-34-24)38-23(28(29,30)31)15-22(36-38)19-7-4-12-32-16-19;28-27(29,30)22-11-21(17-3-1-9-31-12-17)36-38(22)20-6-7-23(33-14-20)35-26(41)18-5-8-25(40)37(15-18)16-24(39)34-19-4-2-10-32-13-19;28-27(29,30)23-13-22(18-5-2-10-31-14-18)34-36(23)21-8-9-24(32-15-21)33-25(37)17-4-1-7-20(12-17)35-11-3-6-19(16-35)26(38)39;27-26(28,29)21-13-20(17-5-2-10-30-14-17)34-36(21)23-9-8-22(32-33-23)31-24(37)16-4-1-7-19(12-16)35-11-3-6-18(15-35)25(38)39;24-23(25,26)18-10-17(14-2-1-8-27-11-14)30-32(18)16-4-5-19(28-12-16)29-22(36)15-3-6-20(33)31(13-15)9-7-21(34)35/h1-13,15-17H,14,18H2,(H,35,40)(H,34,36,42);3-4,6-7,9-12,14-16,20H,2,5,8,13,17H2,1H3,(H,33,34,39);1-15H,16H2,(H,34,39)(H,33,35,41);1-2,4-5,7-10,12-15,19H,3,6,11,16H2,(H,38,39)(H,32,33,37);1-2,4-5,7-10,12-14,18H,3,6,11,15H2,(H,38,39)(H,31,32,37);1-6,8,10-13H,7,9H2,(H,34,35)(H,28,29,36)
InChIKeyKVULLFZHOZKUMM-UHFFFAOYSA-N
XLogP25.08
TPSA746.99 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds41
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003272.02
LogP ≤ 525.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Analyze 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid (CID 159255143) is 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid is CCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)C1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCc1ccccc1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)Nc1cccnc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(N2CCCC(C(=O)O)C2)c1.O=C(O)CCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.
What is the InChIKey of 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid?
The InChIKey is KVULLFZHOZKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N7O3.C28H26F3N7O3.C27H19F3N8O3.C27H23F3N6O3.C26H22F3N7O3.C23H17F3N6O4/c30-29(31,32)24-13-23(20-7-4-12-33-15-20)37-39(24)22-9-10-25(34-16-22)36-28(42)21-8-11-27(41)38(17-21)18-26(40)35-14-19-5-2-1-3-6-19;1-2-41-27(40)20-8-5-13-37(17-20)21-9-3-6-18(14-21)26(39)33-24-10-11-25(35-34-24)38-23(28(29,30)31)15-22(36-38)19-7-4-12-32-16-19;28-27(29,30)22-11-21(17-3-1-9-31-12-17)36-38(22)20-6-7-23(33-14-20)35-26(41)18-5-8-25(40)37(15-18)16-24(39)34-19-4-2-10-32-13-19;28-27(29,30)23-13-22(18-5-2-10-31-14-18)34-36(23)21-8-9-24(32-15-21)33-25(37)17-4-1-7-20(12-17)35-11-3-6-19(16-35)26(38)39;27-26(28,29)21-13-20(17-5-2-10-30-14-17)34-36(21)23-9-8-22(32-33-23)31-24(37)16-4-1-7-19(12-16)35-11-3-6-18(15-35)25(38)39;24-23(25,26)18-10-17(14-2-1-8-27-11-14)30-32(18)16-4-5-19(28-12-16)29-22(36)15-3-6-20(33)31(13-15)9-7-21(34)35/h1-13,15-17H,14,18H2,(H,35,40)(H,34,36,42);3-4,6-7,9-12,14-16,20H,2,5,8,13,17H2,1H3,(H,33,34,39);1-15H,16H2,(H,34,39)(H,33,35,41);1-2,4-5,7-10,12-15,19H,3,6,11,16H2,(H,38,39)(H,32,33,37);1-2,4-5,7-10,12-14,18H,3,6,11,15H2,(H,38,39)(H,31,32,37);1-6,8,10-13H,7,9H2,(H,34,35)(H,28,29,36).
What are the key properties of 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid?
1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid has a molecular weight of 3272.02 g/mol, XLogP of 25.08, 41 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate;6-oxo-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoic acid;1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-3-carboxylic acid;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 159255143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).