3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide

C141H144Cl2N44O13S2 — CID 157427768

IUPAC3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.CSc1ncc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)ccn1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccsc2n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1
InChIInChI=1S/C28H28N8O2.C27H25N7O2.C23H23ClN6O3.C21H21ClN8O2S.C21H20N8O2S.C21H27N7O2/c37-28(26-22(7-4-10-29-26)30-16-19-5-2-1-3-6-19)34-24-17-31-35-25(24)27-32-21-9-8-20(15-23(21)33-27)18-36-11-13-38-14-12-36;35-27(23-15-20(8-9-28-23)19-4-2-1-3-5-19)32-24-16-29-33-25(24)26-30-21-7-6-18(14-22(21)31-26)17-34-10-12-36-13-11-34;1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;1-33-21-23-9-13(22)17(28-21)20(31)27-16-10-24-29-18(16)19-25-14-3-2-12(8-15(14)26-19)11-30-4-6-32-7-5-30;30-20(17-12-29-5-8-32-21(29)26-17)25-16-10-22-27-18(16)19-23-14-2-1-13(9-15(14)24-19)11-28-3-6-31-7-4-28;29-21(15-3-5-22-6-4-15)26-18-12-23-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-7-9-30-10-8-28/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-9,14-16H,10-13,17H2,(H,29,33)(H,30,31)(H,32,35);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-3,8-10H,4-7,11H2,1H3,(H,24,29)(H,25,26)(H,27,31);1-2,5,8-10,12H,3-4,6-7,11H2,(H,22,27)(H,23,24)(H,25,30);1-2,11-12,15,22H,3-10,13H2,(H,23,27)(H,24,25)(H,26,29)
InChIKeyBQDXIIZJZDJAQR-UHFFFAOYSA-N
MW2798.04 g/mol
LogP19.52
Rot. Bonds36

About 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide

3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 157427768) has the molecular formula C141H144Cl2N44O13S2 and a molecular weight of 2798.04 g/mol. Its IUPAC name is 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID157427768
Molecular FormulaC141H144Cl2N44O13S2
Molecular Weight2798.04 g/mol
Exact Mass2795.08
IUPAC Name3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.CSc1ncc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)ccn1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccsc2n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1
InChIInChI=1S/C28H28N8O2.C27H25N7O2.C23H23ClN6O3.C21H21ClN8O2S.C21H20N8O2S.C21H27N7O2/c37-28(26-22(7-4-10-29-26)30-16-19-5-2-1-3-6-19)34-24-17-31-35-25(24)27-32-21-9-8-20(15-23(21)33-27)18-36-11-13-38-14-12-36;35-27(23-15-20(8-9-28-23)19-4-2-1-3-5-19)32-24-16-29-33-25(24)26-30-21-7-6-18(14-22(21)31-26)17-34-10-12-36-13-11-34;1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;1-33-21-23-9-13(22)17(28-21)20(31)27-16-10-24-29-18(16)19-25-14-3-2-12(8-15(14)26-19)11-30-4-6-32-7-5-30;30-20(17-12-29-5-8-32-21(29)26-17)25-16-10-22-27-18(16)19-23-14-2-1-13(9-15(14)24-19)11-28-3-6-31-7-4-28;29-21(15-3-5-22-6-4-15)26-18-12-23-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-7-9-30-10-8-28/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-9,14-16H,10-13,17H2,(H,29,33)(H,30,31)(H,32,35);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-3,8-10H,4-7,11H2,1H3,(H,24,29)(H,25,26)(H,27,31);1-2,5,8-10,12H,3-4,6-7,11H2,(H,22,27)(H,23,24)(H,25,30);1-2,11-12,15,22H,3-10,13H2,(H,23,27)(H,24,25)(H,26,29)
InChIKeyBQDXIIZJZDJAQR-UHFFFAOYSA-N
XLogP19.52
TPSA695.73 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.04
LogP ≤ 519.52
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

Analyze 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-(benzylamino)-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;1-benzyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-(2-methoxy-5-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide
CID 158724770
1-benzyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 136980396
2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfanylbenzamide
CID 136501304
2-(4-methylphenoxy)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 136508885
N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 136660705
4-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-cyano-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropane-1-carboxamide;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)-2-pyridinyl]piperidine-4-carboxamide;2,5-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 159533841
2-chloro-6-fluoro-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dichloro-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-4-methoxy-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-4-methoxy-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]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 159566199
2-(3-chloro-2,6-difluorophenyl)-5-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 170547526
2-(3-cyclopropylphenyl)-5-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 170547509
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 158162837
2-(3-chloro-4-methoxyphenyl)-5-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 170547538
3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 136508884

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide (CID 157427768) is 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.CSc1ncc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)ccn1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccsc2n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is BQDXIIZJZDJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2.C27H25N7O2.C23H23ClN6O3.C21H21ClN8O2S.C21H20N8O2S.C21H27N7O2/c37-28(26-22(7-4-10-29-26)30-16-19-5-2-1-3-6-19)34-24-17-31-35-25(24)27-32-21-9-8-20(15-23(21)33-27)18-36-11-13-38-14-12-36;35-27(23-15-20(8-9-28-23)19-4-2-1-3-5-19)32-24-16-29-33-25(24)26-30-21-7-6-18(14-22(21)31-26)17-34-10-12-36-13-11-34;1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;1-33-21-23-9-13(22)17(28-21)20(31)27-16-10-24-29-18(16)19-25-14-3-2-12(8-15(14)26-19)11-30-4-6-32-7-5-30;30-20(17-12-29-5-8-32-21(29)26-17)25-16-10-22-27-18(16)19-23-14-2-1-13(9-15(14)24-19)11-28-3-6-31-7-4-28;29-21(15-3-5-22-6-4-15)26-18-12-23-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-7-9-30-10-8-28/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-9,14-16H,10-13,17H2,(H,29,33)(H,30,31)(H,32,35);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-3,8-10H,4-7,11H2,1H3,(H,24,29)(H,25,26)(H,27,31);1-2,5,8-10,12H,3-4,6-7,11H2,(H,22,27)(H,23,24)(H,25,30);1-2,11-12,15,22H,3-10,13H2,(H,23,27)(H,24,25)(H,26,29).
What are the key properties of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?
3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 2798.04 g/mol, XLogP of 19.52, 36 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-phenylpyridine-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 157427768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).