1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide

C70H77N21O9 — CID 158011553

IUPAC1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1.COC1Nc2ccccc2C=C1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C26H27N7O3.C23H29N7O3.C21H21N7O3/c1-35-26-18(13-17-4-2-3-5-19(17)31-26)25(34)30-22-14-27-32-23(22)24-28-20-7-6-16(12-21(20)29-24)15-33-8-10-36-11-9-33;1-15(31)30-6-4-17(5-7-30)23(32)27-20-13-24-28-21(20)22-25-18-3-2-16(12-19(18)26-22)14-29-8-10-33-11-9-29;29-20-14(2-1-5-22-20)21(30)26-17-11-23-27-18(17)19-24-15-4-3-13(10-16(15)25-19)12-28-6-8-31-9-7-28/h2-7,12-14,26,31H,8-11,15H2,1H3,(H,27,32)(H,28,29)(H,30,34);2-3,12-13,17H,4-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,32);1-5,10-11H,6-9,12H2,(H,22,29)(H,23,27)(H,24,25)(H,26,30)
InChIKeyFEYGHYRPSXTKJQ-UHFFFAOYSA-N
MW1356.52 g/mol
LogP6.91
Rot. Bonds16

About 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide

1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 158011553) has the molecular formula C70H77N21O9 and a molecular weight of 1356.52 g/mol. Its IUPAC name is 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID158011553
Molecular FormulaC70H77N21O9
Molecular Weight1356.52 g/mol
Exact Mass1355.62
IUPAC Name1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1.COC1Nc2ccccc2C=C1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C26H27N7O3.C23H29N7O3.C21H21N7O3/c1-35-26-18(13-17-4-2-3-5-19(17)31-26)25(34)30-22-14-27-32-23(22)24-28-20-7-6-16(12-21(20)29-24)15-33-8-10-36-11-9-33;1-15(31)30-6-4-17(5-7-30)23(32)27-20-13-24-28-21(20)22-25-18-3-2-16(12-19(18)26-22)14-29-8-10-33-11-9-29;29-20-14(2-1-5-22-20)21(30)26-17-11-23-27-18(17)19-24-15-4-3-13(10-16(15)25-19)12-28-6-8-31-9-7-28/h2-7,12-14,26,31H,8-11,15H2,1H3,(H,27,32)(H,28,29)(H,30,34);2-3,12-13,17H,4-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,32);1-5,10-11H,6-9,12H2,(H,22,29)(H,23,27)(H,24,25)(H,26,30)
InChIKeyFEYGHYRPSXTKJQ-UHFFFAOYSA-N
XLogP6.91
TPSA371.22 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms100
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001356.52
LogP ≤ 56.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 158011553) is 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide is CC(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1.COC1Nc2ccccc2C=C1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc[nH]c1=O.
What is the InChIKey of 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FEYGHYRPSXTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C23H29N7O3.C21H21N7O3/c1-35-26-18(13-17-4-2-3-5-19(17)31-26)25(34)30-22-14-27-32-23(22)24-28-20-7-6-16(12-21(20)29-24)15-33-8-10-36-11-9-33;1-15(31)30-6-4-17(5-7-30)23(32)27-20-13-24-28-21(20)22-25-18-3-2-16(12-19(18)26-22)14-29-8-10-33-11-9-29;29-20-14(2-1-5-22-20)21(30)26-17-11-23-27-18(17)19-24-15-4-3-13(10-16(15)25-19)12-28-6-8-31-9-7-28/h2-7,12-14,26,31H,8-11,15H2,1H3,(H,27,32)(H,28,29)(H,30,34);2-3,12-13,17H,4-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,32);1-5,10-11H,6-9,12H2,(H,22,29)(H,23,27)(H,24,25)(H,26,30).
What are the key properties of 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 1356.52 g/mol, XLogP of 6.91, 16 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 158011553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).