tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C136H127F4N43O19 — CID 159435809

IUPACtert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nccnc3C(=O)Nc3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nnn(-c4ccccc4)n3)[nH]c2cc1OC.O=C(Cc1c(F)cccc1F)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C27H30N6O5.C24H20N8O4.2C23H22F2N6O2.C20H17N9O3.C19H16N8O3/c1-27(2,3)38-26(35)33-9-8-15-6-7-16(10-17(15)14-33)25(34)31-20-13-28-32-23(20)24-29-18-11-21(36-4)22(37-5)12-19(18)30-24;1-35-17-10-14-15(11-18(17)36-2)30-22(29-14)19-16(12-27-32-19)31-24(34)21-20(25-8-9-26-21)23(33)28-13-6-4-3-5-7-13;24-16-2-1-3-17(25)15(16)11-21(32)27-20-12-26-30-22(20)23-28-18-5-4-14(10-19(18)29-23)13-31-6-8-33-9-7-31;24-15-2-1-3-16(25)20(15)23(32)30-19-11-27-31-21(19)22-28-17-5-4-14(10-18(17)29-22)33-12-13-6-8-26-9-7-13;1-31-15-8-12-13(9-16(15)32-2)23-18(22-12)17-14(10-21-25-17)24-20(30)19-26-28-29(27-19)11-6-4-3-5-7-11;1-29-14-6-11-12(7-15(14)30-2)24-17(23-11)16-13(9-21-26-16)25-19(28)10-8-22-27-5-3-4-20-18(10)27/h6-7,10-13H,8-9,14H2,1-5H3,(H,28,32)(H,29,30)(H,31,34);3-12H,1-2H3,(H,27,32)(H,28,33)(H,29,30)(H,31,34);1-5,10,12H,6-9,11,13H2,(H,26,30)(H,27,32)(H,28,29);1-5,10-11,13,26H,6-9,12H2,(H,27,31)(H,28,29)(H,30,32);3-10H,1-2H3,(H,21,25)(H,22,23)(H,24,30);3-9H,1-2H3,(H,21,26)(H,23,24)(H,25,28)
InChIKeyLROJZDDOLTWAOD-UHFFFAOYSA-N
MW2743.79 g/mol
LogP19.35
Rot. Bonds35

About tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159435809) has the molecular formula C136H127F4N43O19 and a molecular weight of 2743.79 g/mol. Its IUPAC name is tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159435809
Molecular FormulaC136H127F4N43O19
Molecular Weight2743.79 g/mol
Exact Mass2742.02
IUPAC Nametert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nccnc3C(=O)Nc3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nnn(-c4ccccc4)n3)[nH]c2cc1OC.O=C(Cc1c(F)cccc1F)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C27H30N6O5.C24H20N8O4.2C23H22F2N6O2.C20H17N9O3.C19H16N8O3/c1-27(2,3)38-26(35)33-9-8-15-6-7-16(10-17(15)14-33)25(34)31-20-13-28-32-23(20)24-29-18-11-21(36-4)22(37-5)12-19(18)30-24;1-35-17-10-14-15(11-18(17)36-2)30-22(29-14)19-16(12-27-32-19)31-24(34)21-20(25-8-9-26-21)23(33)28-13-6-4-3-5-7-13;24-16-2-1-3-17(25)15(16)11-21(32)27-20-12-26-30-22(20)23-28-18-5-4-14(10-19(18)29-23)13-31-6-8-33-9-7-31;24-15-2-1-3-16(25)20(15)23(32)30-19-11-27-31-21(19)22-28-17-5-4-14(10-18(17)29-22)33-12-13-6-8-26-9-7-13;1-31-15-8-12-13(9-16(15)32-2)23-18(22-12)17-14(10-21-25-17)24-20(30)19-26-28-29(27-19)11-6-4-3-5-7-11;1-29-14-6-11-12(7-15(14)30-2)24-17(23-11)16-13(9-21-26-16)25-19(28)10-8-22-27-5-3-4-20-18(10)27/h6-7,10-13H,8-9,14H2,1-5H3,(H,28,32)(H,29,30)(H,31,34);3-12H,1-2H3,(H,27,32)(H,28,33)(H,29,30)(H,31,34);1-5,10,12H,6-9,11,13H2,(H,26,30)(H,27,32)(H,28,29);1-5,10-11,13,26H,6-9,12H2,(H,27,31)(H,28,29)(H,30,32);3-10H,1-2H3,(H,21,25)(H,22,23)(H,24,30);3-9H,1-2H3,(H,21,26)(H,23,24)(H,25,28)
InChIKeyLROJZDDOLTWAOD-UHFFFAOYSA-N
XLogP19.35
TPSA784.54 Ų
H-Bond Donors20
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002743.79
LogP ≤ 519.35
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1042

Analyze tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 157158634
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
CID 157671978
CID 157671978
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 158200492
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;5-amino-1-[(3R)-1-methylpiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;N-[3-[5-chloro-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 158503580
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;2-methoxy-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 159433443
1-[7-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethane-1,2-dione;1-[4-methoxy-7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione;1-[4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
CID 159592575
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285
1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(4-fluorophenyl)urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide
CID 160214112
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;5-amino-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazole-4-carboxamide;N-[4-(6-aminopurin-9-yl)phenyl]-2-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide;methyl N-[6-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]-3H-indol-2-yl]carbamate;N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[(5-oxo-8H-quinazolin-4-yl)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-(4-pyridin-4-yloxyphenyl)-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 160464199

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159435809) is tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nccnc3C(=O)Nc3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nnn(-c4ccccc4)n3)[nH]c2cc1OC.O=C(Cc1c(F)cccc1F)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LROJZDDOLTWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5.C24H20N8O4.2C23H22F2N6O2.C20H17N9O3.C19H16N8O3/c1-27(2,3)38-26(35)33-9-8-15-6-7-16(10-17(15)14-33)25(34)31-20-13-28-32-23(20)24-29-18-11-21(36-4)22(37-5)12-19(18)30-24;1-35-17-10-14-15(11-18(17)36-2)30-22(29-14)19-16(12-27-32-19)31-24(34)21-20(25-8-9-26-21)23(33)28-13-6-4-3-5-7-13;24-16-2-1-3-17(25)15(16)11-21(32)27-20-12-26-30-22(20)23-28-18-5-4-14(10-19(18)29-23)13-31-6-8-33-9-7-31;24-15-2-1-3-16(25)20(15)23(32)30-19-11-27-31-21(19)22-28-17-5-4-14(10-18(17)29-22)33-12-13-6-8-26-9-7-13;1-31-15-8-12-13(9-16(15)32-2)23-18(22-12)17-14(10-21-25-17)24-20(30)19-26-28-29(27-19)11-6-4-3-5-7-11;1-29-14-6-11-12(7-15(14)30-2)24-17(23-11)16-13(9-21-26-16)25-19(28)10-8-22-27-5-3-4-20-18(10)27/h6-7,10-13H,8-9,14H2,1-5H3,(H,28,32)(H,29,30)(H,31,34);3-12H,1-2H3,(H,27,32)(H,28,33)(H,29,30)(H,31,34);1-5,10,12H,6-9,11,13H2,(H,26,30)(H,27,32)(H,28,29);1-5,10-11,13,26H,6-9,12H2,(H,27,31)(H,28,29)(H,30,32);3-10H,1-2H3,(H,21,25)(H,22,23)(H,24,30);3-9H,1-2H3,(H,21,26)(H,23,24)(H,25,28).
What are the key properties of tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2743.79 g/mol, XLogP of 19.35, 35 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;3-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-N-phenylpyrazine-2,3-dicarboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenyltetrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159435809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).