About 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide
4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide (PubChem CID 160939725) has the molecular formula C140H212F2N28O10S5
and a molecular weight of 2645.75 g/mol. Its IUPAC name is 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide.
Frequently Asked Questions
What is the IUPAC name of 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide?
The IUPAC name of 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide (CID 160939725) is 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide?
The canonical SMILES for 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide is Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(CNO)s1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(CC=O)s1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(CNO)s1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(CC=O)s1.Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(CNO)s1.
What is the InChIKey of 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide?
The InChIKey is SUIOZYBEBBBIFD-AERWXEKXSA-N. The full InChI is InChI=1S/C29H43N5O2S.C28H42F2N6O2S.C28H44N6O2S.C28H41N5O2S.C27H42N6O2S/c1-19(2)28-32-31-20(3)34(28)24-17-22-9-10-23(18-24)33(22)15-13-26(27-12-11-25(37-27)14-16-35)30-29(36)21-7-5-4-6-8-21;1-17(2)26-34-33-18(3)36(26)22-14-20-4-5-21(15-22)35(20)13-10-24(25-7-6-23(39-25)16-31-38)32-27(37)19-8-11-28(29,30)12-9-19;1-18(2)27-32-31-19(3)34(27)23-15-21-9-10-22(16-23)33(21)14-13-25(26-12-11-24(37-26)17-29-36)30-28(35)20-7-5-4-6-8-20;1-18(2)27-31-30-19(3)33(27)23-16-21-8-9-22(17-23)32(21)14-12-25(26-11-10-24(36-26)13-15-34)29-28(35)20-6-4-5-7-20;1-17(2)26-31-30-18(3)33(26)22-14-20-8-9-21(15-22)32(20)13-12-24(25-11-10-23(36-25)16-28-35)29-27(34)19-6-4-5-7-19/h11-12,16,19,21-24,26H,4-10,13-15,17-18H2,1-3H3,(H,30,36);6-7,17,19-22,24,31,38H,4-5,8-16H2,1-3H3,(H,32,37);11-12,18,20-23,25,29,36H,4-10,13-17H2,1-3H3,(H,30,35);10-11,15,18,20-23,25H,4-9,12-14,16-17H2,1-3H3,(H,29,35);10-11,17,19-22,24,28,35H,4-9,12-16H2,1-3H3,(H,29,34)/t22?,23?,24?,26-;20?,21?,22?,24-;2*21?,22?,23?,25-;20?,21?,22?,24-/m00000/s1.
What are the key properties of 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide?
4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide has a molecular weight of 2645.75 g/mol, XLogP of 26.22, 50 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexanecarboxamide;N-[(1S)-1-[5-[(hydroxyamino)methyl]thiophen-2-yl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclohexanecarboxamide;N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[5-(2-oxoethyl)thiophen-2-yl]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 160939725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).