N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

C128H152ClFN18O3 — CID 161334015

About N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (PubChem CID 161334015) has the molecular formula C128H152ClFN18O3 and a molecular weight of 2045.20 g/mol. Its IUPAC name is N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• PubChem CID: 161334015
• Molecular Formula: C128H152ClFN18O3
• Molecular Weight: 2045.20 g/mol
• Exact Mass: 2043.20
• IUPAC Name: N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• SMILES: CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2cc(CNC3CCN(C)CC3)ccc21
• InChI: InChI=1S/C27H34N4.C26H33N5.C25H28ClN3O.C25H28FN3O.C25H29N3O/c1-4-31-26(6-5-15-28-24-10-7-21(2)8-11-24)19-23-18-22(9-12-27(23)31)20-29-25-13-16-30(3)17-14-25;1-4-31-25(6-5-12-28-24-9-13-27-20(2)16-24)18-22-17-21(7-8-26(22)31)19-29-23-10-14-30(3)15-11-23;2*1-2-29-24(4-3-13-27-22-8-6-21(26)7-9-22)17-20-16-19(5-10-25(20)29)18-28-23-11-14-30-15-12-23;1-2-28-24(9-6-14-26-22-7-4-3-5-8-22)18-21-17-20(10-11-25(21)28)19-27-23-12-15-29-16-13-23/h7-12,18-19,25,28-29H,4,13-17,20H2,1-3H3;7-9,13,16-18,23,29H,4,10-12,14-15,19H2,1-3H3,(H,27,28);2*5-10,16-17,23,27-28H,2,11-15,18H2,1H3;3-5,7-8,10-11,17-18,23,26-27H,2,12-16,19H2,1H3
• InChIKey: VLUGGGUWQIZYHC-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 192.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.20
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The IUPAC name of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (CID 161334015) is N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

What is the SMILES notation for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The canonical SMILES for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2cc(CNC3CCN(C)CC3)ccc21.

What is the InChIKey of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The InChIKey is VLUGGGUWQIZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4.C26H33N5.C25H28ClN3O.C25H28FN3O.C25H29N3O/c1-4-31-26(6-5-15-28-24-10-7-21(2)8-11-24)19-23-18-22(9-12-27(23)31)20-29-25-13-16-30(3)17-14-25;1-4-31-25(6-5-12-28-24-9-13-27-20(2)16-24)18-22-17-21(7-8-26(22)31)19-29-23-10-14-30(3)15-11-23;2*1-2-29-24(4-3-13-27-22-8-6-21(26)7-9-22)17-20-16-19(5-10-25(20)29)18-28-23-11-14-30-15-12-23;1-2-28-24(9-6-14-26-22-7-4-3-5-8-22)18-21-17-20(10-11-25(21)28)19-27-23-12-15-29-16-13-23/h7-12,18-19,25,28-29H,4,13-17,20H2,1-3H3;7-9,13,16-18,23,29H,4,10-12,14-15,19H2,1-3H3,(H,27,28);2*5-10,16-17,23,27-28H,2,11-15,18H2,1H3;3-5,7-8,10-11,17-18,23,26-27H,2,12-16,19H2,1H3.

What are the key properties of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine has a molecular weight of 2045.20 g/mol, XLogP of 22.60, 30 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 161334015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).