About N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole
N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole (PubChem CID 165084088) has the molecular formula C231H175N45O12S
and a molecular weight of 3805.31 g/mol. Its IUPAC name is N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole.
Frequently Asked Questions
What is the IUPAC name of N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole?
The IUPAC name of N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole (CID 165084088) is N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole is C1=C(c2ccc3cc(-c4ncc(-c5ccccc5)[nH]4)ccc3c2)CC(c2ccccc2)=N1.C1=C(c2ccc3ccc(-c4ncc(-c5ccccc5)[nH]4)cc3c2)CC(c2ccccc2)=N1.COc1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n1.O=C(Cc1ccc(-c2cc(-c3ccc(CC(=O)c4ccccc4)cc3)[nH]n2)cc1)c1ccccc1.O=C(Nc1cccc(NC(=O)C2=CN=C(c3ccccc3)C2)n1)C1=CN=C(c2ccccc2)C1.O=C(Oc1ccccc1)c1nc(-c2cccc(-c3n[nH]c(C(=O)Oc4ccccc4)n3)c2)n[nH]1.c1ccc(-c2n[nH]c(-c3ccc(-c4nc(-c5ccccc5)n[nH]4)o3)n2)cc1.c1ccc(-c2n[nH]c(-c3ccc(-c4nc(-c5ccccc5)n[nH]4)s3)n2)cc1.c1ccc(CCc2nc(-c3cccc(-c4n[nH]c(CCc5ccccc5)n4)c3)n[nH]2)cc1.
What is the InChIKey of N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole?
The InChIKey is VPENFCGMXIPTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O2.2C29H21N3.C27H21N5O2.C26H24N6.C25H20N8O3.C24H16N6O4.C20H14N6O.C20H14N6S/c34-30(26-7-3-1-4-8-26)19-22-11-15-24(16-12-22)28-21-29(33-32-28)25-17-13-23(14-18-25)20-31(35)27-9-5-2-6-10-27;1-3-7-21(8-4-1)27-17-26(18-30-27)23-13-11-20-12-14-24(16-25(20)15-23)29-31-19-28(32-29)22-9-5-2-6-10-22;1-3-7-20(8-4-1)27-17-26(18-30-27)24-12-11-23-16-25(14-13-22(23)15-24)29-31-19-28(32-29)21-9-5-2-6-10-21;33-26(20-14-22(28-16-20)18-8-3-1-4-9-18)31-24-12-7-13-25(30-24)32-27(34)21-15-23(29-17-21)19-10-5-2-6-11-19;1-3-8-19(9-4-1)14-16-23-27-25(31-29-23)21-12-7-13-22(18-21)26-28-24(30-32-26)17-15-20-10-5-2-6-11-20;1-36-22-14-21(26-23(34)19-12-17(30-32-19)15-8-4-2-5-9-15)27-25(28-22)29-24(35)20-13-18(31-33-20)16-10-6-3-7-11-16;31-23(33-17-10-3-1-4-11-17)21-25-19(27-29-21)15-8-7-9-16(14-15)20-26-22(30-28-20)24(32)34-18-12-5-2-6-13-18;2*1-3-7-13(8-4-1)17-21-19(25-23-17)15-11-12-16(27-15)20-22-18(24-26-20)14-9-5-2-6-10-14/h1-18,21H,19-20H2,(H,32,33);2*1-16,18-19H,17H2,(H,31,32);1-13,16-17H,14-15H2,(H2,30,31,32,33,34);1-13,18H,14-17H2,(H,27,29,31)(H,28,30,32);2-14H,1H3,(H,30,32)(H,31,33)(H2,26,27,28,29,34,35);1-14H,(H,25,27,29)(H,26,28,30);2*1-12H,(H,21,23,25)(H,22,24,26).
What are the key properties of N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole?
N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole has a molecular weight of 3805.31 g/mol, XLogP of 46.50, 51 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide;2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone;5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate;2-phenyl-N-[6-[(2-phenyl-3H-pyrrole-4-carbonyl)amino]-2-pyridinyl]-3H-pyrrole-4-carboxamide;5-phenyl-2-[6-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;5-phenyl-2-[7-(2-phenyl-3H-pyrrol-4-yl)naphthalen-2-yl]-1H-imidazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 165084088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).