4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine

C106H140N18O3 — CID 158153781

About 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine

4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine (PubChem CID 158153781) has the molecular formula C106H140N18O3 and a molecular weight of 1714.41 g/mol. Its IUPAC name is 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine
• PubChem CID: 158153781
• Molecular Formula: C106H140N18O3
• Molecular Weight: 1714.41 g/mol
• Exact Mass: 1713.14
• IUPAC Name: 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine
• SMILES: CN(C)CCCn1ccc2cc(-c3ccn(C(c4ccncc4)c4ccc[nH]4)n3)ccc21.CN(C)CCCn1ccc2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21.Cc1c(C)n(CCCN(C)C)c2ccc(-c3ccn(CC4CCC(CO)CC4)n3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(CN3CCN(CCc4ccc(O)cc4)CC3)cc12
• InChI: InChI=1S/C28H40N4O.C26H28N6.C26H38N4O.C26H34N4O/c1-22-23(2)32(14-5-13-29(3)4)28-11-8-25(20-27(22)28)21-31-18-16-30(17-19-31)15-12-24-6-9-26(33)10-7-24;1-30(2)15-4-16-31-17-10-22-19-21(6-7-25(22)31)23-11-18-32(29-23)26(24-5-3-12-28-24)20-8-13-27-14-9-20;1-19-20(2)30(14-5-13-28(3)4)26-11-10-23(16-24(19)26)25-12-15-29(27-25)17-21-6-8-22(18-31)9-7-21;1-27(2)13-6-14-29-16-12-23-21-24(9-10-25(23)29)26(31)30-19-17-28(18-20-30)15-11-22-7-4-3-5-8-22/h6-11,20,33H,5,12-19,21H2,1-4H3;3,5-14,17-19,26,28H,4,15-16H2,1-2H3;10-12,15-16,21-22,31H,5-9,13-14,17-18H2,1-4H3;3-5,7-10,12,16,21H,6,11,13-15,17-20H2,1-2H3
• InChIKey: FVLAOAMXHYDOCE-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 167.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.41
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine?

The IUPAC name of 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine (CID 158153781) is 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine.

What is the SMILES notation for 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine?

The canonical SMILES for 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine is CN(C)CCCn1ccc2cc(-c3ccn(C(c4ccncc4)c4ccc[nH]4)n3)ccc21.CN(C)CCCn1ccc2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21.Cc1c(C)n(CCCN(C)C)c2ccc(-c3ccn(CC4CCC(CO)CC4)n3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(CN3CCN(CCc4ccc(O)cc4)CC3)cc12.

What is the InChIKey of 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine?

The InChIKey is FVLAOAMXHYDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O.C26H28N6.C26H38N4O.C26H34N4O/c1-22-23(2)32(14-5-13-29(3)4)28-11-8-25(20-27(22)28)21-31-18-16-30(17-19-31)15-12-24-6-9-26(33)10-7-24;1-30(2)15-4-16-31-17-10-22-19-21(6-7-25(22)31)23-11-18-32(29-23)26(24-5-3-12-28-24)20-8-13-27-14-9-20;1-19-20(2)30(14-5-13-28(3)4)26-11-10-23(16-24(19)26)25-12-15-29(27-25)17-21-6-8-22(18-31)9-7-21;1-27(2)13-6-14-29-16-12-23-21-24(9-10-25(23)29)26(31)30-19-17-28(18-20-30)15-11-22-7-4-3-5-8-22/h6-11,20,33H,5,12-19,21H2,1-4H3;3,5-14,17-19,26,28H,4,15-16H2,1-2H3;10-12,15-16,21-22,31H,5-9,13-14,17-18H2,1-4H3;3-5,7-10,12,16,21H,6,11,13-15,17-20H2,1-2H3.

What are the key properties of 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine?

4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine has a molecular weight of 1714.41 g/mol, XLogP of 17.56, 33 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 158153781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).