3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

C156H164N40O19S — CID 160651290

About 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 160651290) has the molecular formula C156H164N40O19S and a molecular weight of 2935.36 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
• PubChem CID: 160651290
• Molecular Formula: C156H164N40O19S
• Molecular Weight: 2935.36 g/mol
• Exact Mass: 2933.28
• IUPAC Name: 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccc(OCc2occc2C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.Cn1nc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1(c2ccccc2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1COc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1onc2ccccc12
• InChI: InChI=1S/C29H28N6O3.C28H28N6O4.C27H31N7O5S.C25H26N6O2.C24H30N8O2.C23H21N7O3/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;1-18-2-5-20(6-3-18)38-17-25-21(8-11-37-25)28(35)32-24-15-29-33-26(24)27-30-22-7-4-19(14-23(22)31-27)16-34-9-12-36-13-10-34;1-38-24-7-5-19(40(36,37)34-8-2-3-9-34)15-20(24)27(35)31-23-16-28-32-25(23)26-29-21-6-4-18(14-22(21)30-26)17-33-10-12-39-13-11-33;32-24(25(8-9-25)18-4-2-1-3-5-18)29-21-15-26-30-22(21)23-27-19-7-6-17(14-20(19)28-23)16-31-10-12-33-13-11-31;1-24(2,3)20-12-19(31(4)30-20)23(33)28-18-13-25-29-21(18)22-26-16-6-5-15(11-17(16)27-22)14-32-7-9-34-10-8-32;31-23(21-15-3-1-2-4-16(15)29-33-21)27-19-12-24-28-20(19)22-25-17-6-5-14(11-18(17)26-22)13-30-7-9-32-10-8-30/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);2-8,11,14-15H,9-10,12-13,16-17H2,1H3,(H,29,33)(H,30,31)(H,32,35);4-7,14-16H,2-3,8-13,17H2,1H3,(H,28,32)(H,29,30)(H,31,35);1-7,14-15H,8-13,16H2,(H,26,30)(H,27,28)(H,29,32);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,31)
• InChIKey: RKLLONPHWHRKFH-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 715.64 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2935.36
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?

The IUPAC name of 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (CID 160651290) is 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?

The canonical SMILES for 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccc(OCc2occc2C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.Cn1nc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1(c2ccccc2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1COc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1onc2ccccc12.

What is the InChIKey of 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?

The InChIKey is RKLLONPHWHRKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O3.C28H28N6O4.C27H31N7O5S.C25H26N6O2.C24H30N8O2.C23H21N7O3/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;1-18-2-5-20(6-3-18)38-17-25-21(8-11-37-25)28(35)32-24-15-29-33-26(24)27-30-22-7-4-19(14-23(22)31-27)16-34-9-12-36-13-10-34;1-38-24-7-5-19(40(36,37)34-8-2-3-9-34)15-20(24)27(35)31-23-16-28-32-25(23)26-29-21-6-4-18(14-22(21)30-26)17-33-10-12-39-13-11-33;32-24(25(8-9-25)18-4-2-1-3-5-18)29-21-15-26-30-22(21)23-27-19-7-6-17(14-20(19)28-23)16-31-10-12-33-13-11-31;1-24(2,3)20-12-19(31(4)30-20)23(33)28-18-13-25-29-21(18)22-26-16-6-5-15(11-17(16)27-22)14-32-7-9-34-10-8-32;31-23(21-15-3-1-2-4-16(15)29-33-21)27-19-12-24-28-20(19)22-25-17-6-5-14(11-18(17)26-22)13-30-7-9-32-10-8-30/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);2-8,11,14-15H,9-10,12-13,16-17H2,1H3,(H,29,33)(H,30,31)(H,32,35);4-7,14-16H,2-3,8-13,17H2,1H3,(H,28,32)(H,29,30)(H,31,35);1-7,14-15H,8-13,16H2,(H,26,30)(H,27,28)(H,29,32);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,31).

What are the key properties of 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?

3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 2935.36 g/mol, XLogP of 21.67, 40 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 160651290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).