2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C126H128F10N36O13 — CID 157420855

IUPAC2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCOCCO)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C22H20F2N6O4/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;23-13-2-1-3-14(24)18(13)22(33)29-17-11-26-30-19(17)20-27-15-5-4-12(10-16(15)28-20)21(32)25-6-8-34-9-7-31/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);1-5,10-11,31H,6-9H2,(H,25,32)(H,26,30)(H,27,28)(H,29,33)
InChIKeyBPJQLVJMOYJOOE-UHFFFAOYSA-N
MW2544.63 g/mol
LogP15.04
Rot. Bonds38

About 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 157420855) has the molecular formula C126H128F10N36O13 and a molecular weight of 2544.63 g/mol. Its IUPAC name is 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID157420855
Molecular FormulaC126H128F10N36O13
Molecular Weight2544.63 g/mol
Exact Mass2543.03
IUPAC Name2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCOCCO)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C22H20F2N6O4/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;23-13-2-1-3-14(24)18(13)22(33)29-17-11-26-30-19(17)20-27-15-5-4-12(10-16(15)28-20)21(32)25-6-8-34-9-7-31/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);1-5,10-11,31H,6-9H2,(H,25,32)(H,26,30)(H,27,28)(H,29,33)
InChIKeyBPJQLVJMOYJOOE-UHFFFAOYSA-N
XLogP15.04
TPSA627.14 Ų
H-Bond Donors20
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002544.63
LogP ≤ 515.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 136073310
2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136073392
3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136073408
2,6-difluoro-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136073424
2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
CID 136073443
2,6-difluoro-4-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136465172
2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
CID 142983866
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
CID 157545322
2-cyclobutyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-1,3-dihydroindol-2-one;1-(3-propan-2-ylindol-1-yl)ethanone;5-propan-2-yl-2-pyridazin-4-ylpyrimidine;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(5-propan-2-ylpyrimidin-2-yl)-1H-pyridin-2-one;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157617411
2,6-difluoro-N-[5-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;4-fluoro-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]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide
CID 157708135

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 157420855) is 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCOCCO)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.
What is the InChIKey of 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is BPJQLVJMOYJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C22H20F2N6O4/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;23-13-2-1-3-14(24)18(13)22(33)29-17-11-26-30-19(17)20-27-15-5-4-12(10-16(15)28-20)21(32)25-6-8-34-9-7-31/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);1-5,10-11,31H,6-9H2,(H,25,32)(H,26,30)(H,27,28)(H,29,33).
What are the key properties of 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 2544.63 g/mol, XLogP of 15.04, 38 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 157420855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).