2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide

C94H95F4N25O11S — CID 159649004

IUPAC2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide
SMILESCC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccco1.O=C(Nc1cn[nH]c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H33F2N7O.C24H24N6O3.C21H18F2N6O4S.C20H20N6O3/c1-18-5-8-20(9-6-18)38-13-11-37(12-14-38)17-19-7-10-23-24(15-19)34-28(33-23)27-25(16-32-36-27)35-29(39)26-21(30)3-2-4-22(26)31;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;22-13-2-1-3-14(23)18(13)21(30)27-17-11-24-28-19(17)20-25-15-5-4-12(10-16(15)26-20)34(31,32)29-6-8-33-9-7-29;27-20(17-2-1-7-29-17)24-16-11-21-25-18(16)19-22-14-4-3-13(10-15(14)23-19)12-26-5-8-28-9-6-26/h2-4,7,10,15-16,18,20H,5-6,8-9,11-14,17H2,1H3,(H,32,36)(H,33,34)(H,35,39);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9H2,(H,24,28)(H,25,26)(H,27,30);1-4,7,10-11H,5-6,8-9,12H2,(H,21,25)(H,22,23)(H,24,27)
InChIKeyMRICNQOQTSQHOU-UHFFFAOYSA-N
MW1859.02 g/mol
LogP13.29
Rot. Bonds21

About 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide

2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide (PubChem CID 159649004) has the molecular formula C94H95F4N25O11S and a molecular weight of 1859.02 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide
PubChem CID159649004
Molecular FormulaC94H95F4N25O11S
Molecular Weight1859.02 g/mol
Exact Mass1857.73
IUPAC Name2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide
SMILESCC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccco1.O=C(Nc1cn[nH]c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H33F2N7O.C24H24N6O3.C21H18F2N6O4S.C20H20N6O3/c1-18-5-8-20(9-6-18)38-13-11-37(12-14-38)17-19-7-10-23-24(15-19)34-28(33-23)27-25(16-32-36-27)35-29(39)26-21(30)3-2-4-22(26)31;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;22-13-2-1-3-14(23)18(13)21(30)27-17-11-24-28-19(17)20-25-15-5-4-12(10-16(15)26-20)34(31,32)29-6-8-33-9-7-29;27-20(17-2-1-7-29-17)24-16-11-21-25-18(16)19-22-14-4-3-13(10-15(14)23-19)12-26-5-8-28-9-6-26/h2-4,7,10,15-16,18,20H,5-6,8-9,11-14,17H2,1H3,(H,32,36)(H,33,34)(H,35,39);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9H2,(H,24,28)(H,25,26)(H,27,30);1-4,7,10-11H,5-6,8-9,12H2,(H,21,25)(H,22,23)(H,24,27)
InChIKeyMRICNQOQTSQHOU-UHFFFAOYSA-N
XLogP13.29
TPSA446.24 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001859.02
LogP ≤ 513.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

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
1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;(2R)-2-hydroxypropanoic acid
CID 135475779
1-benzyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 136980396
2,6-difluoro-4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-hydroxy-4-methoxy-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 160792550
3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 136508884
2-(4-methylphenoxy)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 136508885
4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 137043145
butanoic acid;1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 135869575
(2,4-difluorophenyl)-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamoyl]azanium
CID 143600721
N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 136660705
1-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 136931405
2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfanylbenzamide
CID 136501304

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide (CID 159649004) is 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide is CC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccco1.O=C(Nc1cn[nH]c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is MRICNQOQTSQHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O.C24H24N6O3.C21H18F2N6O4S.C20H20N6O3/c1-18-5-8-20(9-6-18)38-13-11-37(12-14-38)17-19-7-10-23-24(15-19)34-28(33-23)27-25(16-32-36-27)35-29(39)26-21(30)3-2-4-22(26)31;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;22-13-2-1-3-14(23)18(13)21(30)27-17-11-24-28-19(17)20-25-15-5-4-12(10-16(15)26-20)34(31,32)29-6-8-33-9-7-29;27-20(17-2-1-7-29-17)24-16-11-21-25-18(16)19-22-14-4-3-13(10-15(14)23-19)12-26-5-8-28-9-6-26/h2-4,7,10,15-16,18,20H,5-6,8-9,11-14,17H2,1H3,(H,32,36)(H,33,34)(H,35,39);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9H2,(H,24,28)(H,25,26)(H,27,30);1-4,7,10-11H,5-6,8-9,12H2,(H,21,25)(H,22,23)(H,24,27).
What are the key properties of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 1859.02 g/mol, XLogP of 13.29, 21 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 159649004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).