4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C113H124ClN33O13 — CID 161373079

About 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 161373079) has the molecular formula C113H124ClN33O13 and a molecular weight of 2187.91 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
• PubChem CID: 161373079
• Molecular Formula: C113H124ClN33O13
• Molecular Weight: 2187.91 g/mol
• Exact Mass: 2185.97
• IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
• SMILES: CNc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc(N)c(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)[C@@H]3CCCN3)[nH]c2cc1OC.Cc1oc2c(c1C(=O)Nc1cn[nH]c1-c1nc3ccc(CN4CCOCC4)cc3[nH]1)CCCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCCN2
• InChI: InChI=1S/C25H27N7O2.C25H28N6O3.C23H24ClN7O3.C23H25N7O2.C17H20N6O3/c33-25(18-4-6-19-17(13-18)2-1-7-26-19)30-22-14-27-31-23(22)24-28-20-5-3-16(12-21(20)29-24)15-32-8-10-34-11-9-32;1-15-22(17-4-2-3-5-21(17)34-15)25(32)29-20-13-26-30-23(20)24-27-18-7-6-16(12-19(18)28-24)14-31-8-10-33-11-9-31;1-33-20-10-16(25)15(24)9-14(20)23(32)29-19-11-26-30-21(19)22-27-17-3-2-13(8-18(17)28-22)12-31-4-6-34-7-5-31;1-24-17-5-3-2-4-16(17)23(31)28-20-13-25-29-21(20)22-26-18-7-6-15(12-19(18)27-22)14-30-8-10-32-11-9-30;1-25-13-6-10-11(7-14(13)26-2)21-16(20-10)15-12(8-19-23-15)22-17(24)9-4-3-5-18-9/h3-6,12-14,26H,1-2,7-11,15H2,(H,27,31)(H,28,29)(H,30,33);6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);2-3,8-11H,4-7,12,25H2,1H3,(H,26,30)(H,27,28)(H,29,32);2-7,12-13,24H,8-11,14H2,1H3,(H,25,29)(H,26,27)(H,28,31);6-9,18H,3-5H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)/t;;;;9-/m....0/s1
• InChIKey: VQSILKGDTSKPCC-OJQYEMAUSA-N
• XLogP: 15.23
• TPSA: 585.12 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.91
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 161373079) is 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CNc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc(N)c(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)[C@@H]3CCCN3)[nH]c2cc1OC.Cc1oc2c(c1C(=O)Nc1cn[nH]c1-c1nc3ccc(CN4CCOCC4)cc3[nH]1)CCCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCCN2.

What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The InChIKey is VQSILKGDTSKPCC-OJQYEMAUSA-N. The full InChI is InChI=1S/C25H27N7O2.C25H28N6O3.C23H24ClN7O3.C23H25N7O2.C17H20N6O3/c33-25(18-4-6-19-17(13-18)2-1-7-26-19)30-22-14-27-31-23(22)24-28-20-5-3-16(12-21(20)29-24)15-32-8-10-34-11-9-32;1-15-22(17-4-2-3-5-21(17)34-15)25(32)29-20-13-26-30-23(20)24-27-18-7-6-16(12-19(18)28-24)14-31-8-10-33-11-9-31;1-33-20-10-16(25)15(24)9-14(20)23(32)29-19-11-26-30-21(19)22-27-17-3-2-13(8-18(17)28-22)12-31-4-6-34-7-5-31;1-24-17-5-3-2-4-16(17)23(31)28-20-13-25-29-21(20)22-26-18-7-6-15(12-19(18)27-22)14-30-8-10-32-11-9-30;1-25-13-6-10-11(7-14(13)26-2)21-16(20-10)15-12(8-19-23-15)22-17(24)9-4-3-5-18-9/h3-6,12-14,26H,1-2,7-11,15H2,(H,27,31)(H,28,29)(H,30,33);6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);2-3,8-11H,4-7,12,25H2,1H3,(H,26,30)(H,27,28)(H,29,32);2-7,12-13,24H,8-11,14H2,1H3,(H,25,29)(H,26,27)(H,28,31);6-9,18H,3-5H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)/t;;;;9-/m....0/s1.

What are the key properties of 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 2187.91 g/mol, XLogP of 15.23, 27 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 161373079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).