About N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide
N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide (PubChem CID 158295721) has the molecular formula C141H142F16N40O18
and a molecular weight of 2988.92 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide?
The IUPAC name of N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide (CID 158295721) is N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide?
The canonical SMILES for N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide is CC(C)N1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)CC1.CC(C)c1ccc(-n2cc(NC(=O)c3cccc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)cc1.CC(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)cc1.CC(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)cn1.CC(C)c1cccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)c1.CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ncc(C(C)C)c2cc(C(N)=O)c(OC)cc12.
What is the InChIKey of N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide?
The InChIKey is GLWPHHRZDUTNKY-XGLHGRDOSA-N. The full InChI is InChI=1S/C26H24F3N7O2.2C24H22F3N7O3.C23H27F3N8O3.C23H21F3N8O3.C21H26FN3O4/c1-15(2)16-6-8-18(9-7-16)36-13-21(23(35-36)24(30)37)34-25(38)20-5-3-4-19(33-20)17-10-11-31-22(12-17)32-14-26(27,28)29;1-13(2)14-3-5-16(6-4-14)34-10-17(20(33-34)21(28)35)31-22(36)18-11-37-23(32-18)15-7-8-29-19(9-15)30-12-24(25,26)27;1-13(2)14-4-3-5-16(8-14)34-10-17(20(33-34)21(28)35)31-22(36)18-11-37-23(32-18)15-6-7-29-19(9-15)30-12-24(25,26)27;1-13(2)33-7-4-15(5-8-33)34-10-16(19(32-34)20(27)35)30-21(36)17-11-37-22(31-17)14-3-6-28-18(9-14)29-12-23(24,25)26;1-12(2)15-4-3-14(8-29-15)34-9-16(19(33-34)20(27)35)31-21(36)17-10-37-22(32-17)13-5-6-28-18(7-13)30-11-23(24,25)26;1-5-11-16(25-20(27)18(11)22)9-29-21-13-7-17(28-4)14(19(23)26)6-12(13)15(8-24-21)10(2)3/h3-13,15H,14H2,1-2H3,(H2,30,37)(H,31,32)(H,34,38);2*3-11,13H,12H2,1-2H3,(H2,28,35)(H,29,30)(H,31,36);3,6,9-11,13,15H,4-5,7-8,12H2,1-2H3,(H2,27,35)(H,28,29)(H,30,36);3-10,12H,11H2,1-2H3,(H2,27,35)(H,28,30)(H,31,36);6-8,10-11,16,18H,5,9H2,1-4H3,(H2,23,26)(H,25,27)/t;;;;;11-,16+,18-/m.....0/s1.
What are the key properties of N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide?
N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide has a molecular weight of 2988.92 g/mol, XLogP of 23.30, 47 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide is sourced from PubChem (CID 158295721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).