3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide

C107H111FN28O9 — CID 160622873

IUPAC3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide
SMILESCN1CCN(c2cc(F)cc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)CC1.COc1ccc(C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(-c2ccccc2)c1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1
InChIInChI=1S/C28H28N8O2.C28H26N6O2.C27H31FN8O2.C24H26N6O3/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;35-28(22-8-4-7-21(16-22)20-5-2-1-3-6-20)32-25-17-29-33-26(25)27-30-23-10-9-19(15-24(23)31-27)18-34-11-13-36-14-12-34;1-34-4-6-36(7-5-34)21-14-19(13-20(28)15-21)27(37)32-24-16-29-33-25(24)26-30-22-3-2-18(12-23(22)31-26)17-35-8-10-38-11-9-35;1-15-3-6-21(32-2)17(11-15)24(31)28-20-13-25-29-22(20)23-26-18-5-4-16(12-19(18)27-23)14-30-7-9-33-10-8-30/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-10,15-17H,11-14,18H2,(H,29,33)(H,30,31)(H,32,35);2-3,12-16H,4-11,17H2,1H3,(H,29,33)(H,30,31)(H,32,37);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31)
InChIKeyRGXUFNNLOKMZPZ-UHFFFAOYSA-N
MW1952.25 g/mol
LogP15.03
Rot. Bonds26

About 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide

3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide (PubChem CID 160622873) has the molecular formula C107H111FN28O9 and a molecular weight of 1952.25 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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide.

Molecular Properties

Compound Name3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide
PubChem CID160622873
Molecular FormulaC107H111FN28O9
Molecular Weight1952.25 g/mol
Exact Mass1950.91
IUPAC Name3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide
SMILESCN1CCN(c2cc(F)cc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)CC1.COc1ccc(C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(-c2ccccc2)c1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1
InChIInChI=1S/C28H28N8O2.C28H26N6O2.C27H31FN8O2.C24H26N6O3/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;35-28(22-8-4-7-21(16-22)20-5-2-1-3-6-20)32-25-17-29-33-26(25)27-30-23-10-9-19(15-24(23)31-27)18-34-11-13-36-14-12-34;1-34-4-6-36(7-5-34)21-14-19(13-20(28)15-21)27(37)32-24-16-29-33-25(24)26-30-22-3-2-18(12-23(22)31-26)17-35-8-10-38-11-9-35;1-15-3-6-21(32-2)17(11-15)24(31)28-20-13-25-29-22(20)23-26-18-5-4-16(12-19(18)27-23)14-30-7-9-33-10-8-30/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-10,15-17H,11-14,18H2,(H,29,33)(H,30,31)(H,32,35);2-3,12-16H,4-11,17H2,1H3,(H,29,33)(H,30,31)(H,32,37);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31)
InChIKeyRGXUFNNLOKMZPZ-UHFFFAOYSA-N
XLogP15.03
TPSA436.35 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.25
LogP ≤ 515.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide with MolForge

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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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide?
The IUPAC name of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide (CID 160622873) is 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide.
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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide?
The canonical SMILES for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide is CN1CCN(c2cc(F)cc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)CC1.COc1ccc(C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(-c2ccccc2)c1.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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide?
The InChIKey is RGXUFNNLOKMZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2.C28H26N6O2.C27H31FN8O2.C24H26N6O3/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;35-28(22-8-4-7-21(16-22)20-5-2-1-3-6-20)32-25-17-29-33-26(25)27-30-23-10-9-19(15-24(23)31-27)18-34-11-13-36-14-12-34;1-34-4-6-36(7-5-34)21-14-19(13-20(28)15-21)27(37)32-24-16-29-33-25(24)26-30-22-3-2-18(12-23(22)31-26)17-35-8-10-38-11-9-35;1-15-3-6-21(32-2)17(11-15)24(31)28-20-13-25-29-22(20)23-26-18-5-4-16(12-19(18)27-23)14-30-7-9-33-10-8-30/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-10,15-17H,11-14,18H2,(H,29,33)(H,30,31)(H,32,35);2-3,12-16H,4-11,17H2,1H3,(H,29,33)(H,30,31)(H,32,37);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31).
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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide?
3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide has a molecular weight of 1952.25 g/mol, XLogP of 15.03, 26 rotatable bonds, 13 hydrogen bond donors, and 25 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;3-fluoro-5-(4-methylpiperazin-1-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-methyl-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]-3-phenylbenzamide is sourced from PubChem (CID 160622873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).