N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine

C133H161N19O9 — CID 162160298

About N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine

N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine (PubChem CID 162160298) has the molecular formula C133H161N19O9 and a molecular weight of 2169.87 g/mol. Its IUPAC name is N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine.

Molecular Properties

• Compound Name: N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine
• PubChem CID: 162160298
• Molecular Formula: C133H161N19O9
• Molecular Weight: 2169.87 g/mol
• Exact Mass: 2168.27
• IUPAC Name: N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine
• SMILES: CC(C)(c1ccccc1)c1ccc(OCCCNCCN2CCCCC2)cc1.COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2CN2CCOCC2)cc1OC.COc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4ccccn34)CC2)cc1OC.COc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1OC.c1ccc(Cn2cc(CNCc3ccc(CN4CCOCC4)cc3)c(-c3cccnc3)n2)cc1
• InChI: InChI=1S/C30H34N4O3.C28H31N5O.C27H30N4O2.C25H36N2O.C23H30N4O2/c1-35-28-13-12-23(18-29(28)36-2)30-26(22-34(32-30)27-10-4-3-5-11-27)20-31-19-24-8-6-7-9-25(24)21-33-14-16-37-17-15-33;1-2-5-24(6-3-1)21-33-22-27(28(31-33)26-7-4-12-29-18-26)19-30-17-23-8-10-25(11-9-23)20-32-13-15-34-16-14-32;1-32-24-12-11-21(18-25(24)33-2)19-29-14-16-30(17-15-29)20-23-27(22-8-4-3-5-9-22)28-26-10-6-7-13-31(23)26;1-25(2,22-10-5-3-6-11-22)23-12-14-24(15-13-23)28-21-9-16-26-17-20-27-18-7-4-8-19-27;1-28-21-11-10-18(16-22(21)29-2)17-24-23-25-19-8-4-5-9-20(19)27(23)15-14-26-12-6-3-7-13-26/h3-13,18,22,31H,14-17,19-21H2,1-2H3;1-12,18,22,30H,13-17,19-21H2;3-13,18H,14-17,19-20H2,1-2H3;3,5-6,10-15,26H,4,7-9,16-21H2,1-2H3;4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25)
• InChIKey: ZMJPTSCTDPVDPT-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 234.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2169.87
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine?

The IUPAC name of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine (CID 162160298) is N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine.

What is the SMILES notation for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine?

The canonical SMILES for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine is CC(C)(c1ccccc1)c1ccc(OCCCNCCN2CCCCC2)cc1.COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2CN2CCOCC2)cc1OC.COc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4ccccn34)CC2)cc1OC.COc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1OC.c1ccc(Cn2cc(CNCc3ccc(CN4CCOCC4)cc3)c(-c3cccnc3)n2)cc1.

What is the InChIKey of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine?

The InChIKey is ZMJPTSCTDPVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3.C28H31N5O.C27H30N4O2.C25H36N2O.C23H30N4O2/c1-35-28-13-12-23(18-29(28)36-2)30-26(22-34(32-30)27-10-4-3-5-11-27)20-31-19-24-8-6-7-9-25(24)21-33-14-16-37-17-15-33;1-2-5-24(6-3-1)21-33-22-27(28(31-33)26-7-4-12-29-18-26)19-30-17-23-8-10-25(11-9-23)20-32-13-15-34-16-14-32;1-32-24-12-11-21(18-25(24)33-2)19-29-14-16-30(17-15-29)20-23-27(22-8-4-3-5-9-22)28-26-10-6-7-13-31(23)26;1-25(2,22-10-5-3-6-11-22)23-12-14-24(15-13-23)28-21-9-16-26-17-20-27-18-7-4-8-19-27;1-28-21-11-10-18(16-22(21)29-2)17-24-23-25-19-8-4-5-9-20(19)27(23)15-14-26-12-6-3-7-13-26/h3-13,18,22,31H,14-17,19-21H2,1-2H3;1-12,18,22,30H,13-17,19-21H2;3-13,18H,14-17,19-20H2,1-2H3;3,5-6,10-15,26H,4,7-9,16-21H2,1-2H3;4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25).

What are the key properties of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine?

N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine has a molecular weight of 2169.87 g/mol, XLogP of 22.14, 44 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine;3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyridine;N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine;N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine;3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(2-piperidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 162160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).