About 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid
2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid (PubChem CID 157166867) has the molecular formula C156H196BrCl5F2N38O15
and a molecular weight of 3138.70 g/mol. Its IUPAC name is 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid (CID 157166867) is 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid is CC1CCC(C(C)n2c(N3CCN(C(=O)C4(F)CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(C(C)n2c(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(C(C)n2c(N3CCNC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.O=C(O)C1(F)CC1.[C-]#[N+]c1cc2nc(Br)n(C(C)C3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.[C-]#[N+]c1cc2nc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)n(C(C)C3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.
What is the InChIKey of 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid?
The InChIKey is ANABTPPRUCLUEZ-RQHRKXKFSA-N. The full InChI is InChI=1S/C32H41ClN8O4.C31H36ClFN8O3.C31H40ClN7O2.C27H33ClN8O2.C21H21BrClN5.C10H20N2O2.C4H5FO2/c1-18-7-9-21(10-8-18)20(3)41-27-24(36-29(41)40-12-11-39(17-19(40)2)31(43)44-32(4,5)6)14-25(28-37-30(42)45-38-28)35-26(27)22-13-23(33)16-34-15-22;1-17-4-6-20(7-5-17)19(3)41-26-23(36-29(41)40-11-10-39(16-18(40)2)28(42)31(33)8-9-31)13-24(27-37-30(43)44-38-27)35-25(26)21-12-22(32)15-34-14-21;1-19-8-10-22(11-9-19)21(3)39-28-25(15-26(33-7)36-27(28)23-14-24(32)17-34-16-23)35-29(39)38-13-12-37(18-20(38)2)30(40)41-31(4,5)6;1-15-4-6-18(7-5-15)17(3)36-24-21(32-26(36)35-9-8-29-12-16(35)2)11-22(25-33-27(37)38-34-25)31-23(24)19-10-20(28)14-30-13-19;1-12-4-6-14(7-5-12)13(2)28-20-17(26-21(28)22)9-18(24-3)27-19(20)15-8-16(23)11-25-10-15;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;5-4(1-2-4)3(6)7/h13-16,18-21H,7-12,17H2,1-6H3,(H,37,38,42);12-15,17-20H,4-11,16H2,1-3H3,(H,37,38,43);14-17,19-22H,8-13,18H2,1-6H3;10-11,13-18,29H,4-9,12H2,1-3H3,(H,33,34,37);8-14H,4-7H2,1-2H3;8,11H,5-7H2,1-4H3;1-2H2,(H,6,7)/t18?,19-,20?,21?;17?,18-,19?,20?;19?,20-,21?,22?;15?,16-,17?,18?;;8-;/m1111.1./s1.
What are the key properties of 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid?
2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid has a molecular weight of 3138.70 g/mol, XLogP of 32.58, 24 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 157166867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).