N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine

C186H218N30O20S7 — CID 158595335

About N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine

N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine (PubChem CID 158595335) has the molecular formula C186H218N30O20S7 and a molecular weight of 3418.45 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine.

Molecular Properties

• Compound Name: N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine
• PubChem CID: 158595335
• Molecular Formula: C186H218N30O20S7
• Molecular Weight: 3418.45 g/mol
• Exact Mass: 3415.50
• IUPAC Name: N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine
• SMILES: CCCN(C)S(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC)c(OC)c1.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccc(N(C)C)nc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccccn4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4cccnc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4cccnc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccncc4)CC3)cccc21
• InChI: InChI=1S/C33H40N6O3S.4C31H35N5O3S.C29H38N4O5S2/c1-6-39-25(9-8-18-34-30-14-13-27(43(5,40)41)22-32(30)42-4)21-28-29(10-7-11-31(28)39)36-24-16-19-38(20-17-24)26-12-15-33(35-23-26)37(2)3;2*1-4-36-24(8-7-17-33-29-13-12-26(40(3,37)38)21-31(29)39-2)20-27-28(10-5-11-30(27)36)34-23-14-18-35(19-15-23)25-9-6-16-32-22-25;1-4-36-25(7-6-16-33-29-11-10-26(40(3,37)38)22-31(29)39-2)21-27-28(8-5-9-30(27)36)34-23-14-19-35(20-15-23)24-12-17-32-18-13-24;1-4-36-24(9-8-18-32-28-14-13-25(40(3,37)38)22-30(28)39-2)21-26-27(10-7-11-29(26)36)34-23-15-19-35(20-16-23)31-12-5-6-17-33-31;1-5-17-32(3)40(36,37)24-12-13-27(29(21-24)38-4)30-16-8-9-23-20-25-26(10-7-11-28(25)33(23)6-2)31-22-14-18-39(34,35)19-15-22/h7,10-15,21-24,34,36H,6,16-20H2,1-5H3;2*5-6,9-13,16,20-23,33-34H,4,14-15,17-19H2,1-3H3;5,8-13,17-18,21-23,33-34H,4,14-16,19-20H2,1-3H3;5-7,10-14,17,21-23,32,34H,4,15-16,18-20H2,1-3H3;7,10-13,20-22,30-31H,5-6,14-19H2,1-4H3
• InChIKey: HUYNXGIIPXYWAW-UHFFFAOYSA-N
• XLogP: 29.28
• TPSA: 555.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 49
• Rotatable Bonds: 51
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3418.45
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine?

The IUPAC name of N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine (CID 158595335) is N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine.

What is the SMILES notation for N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine?

The canonical SMILES for N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine is CCCN(C)S(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCS(=O)(=O)CC4)cccc3n2CC)c(OC)c1.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccc(N(C)C)nc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccccn4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4cccnc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4cccnc4)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2OC)cc2c(NC3CCN(c4ccncc4)CC3)cccc21.

What is the InChIKey of N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine?

The InChIKey is HUYNXGIIPXYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O3S.4C31H35N5O3S.C29H38N4O5S2/c1-6-39-25(9-8-18-34-30-14-13-27(43(5,40)41)22-32(30)42-4)21-28-29(10-7-11-31(28)39)36-24-16-19-38(20-17-24)26-12-15-33(35-23-26)37(2)3;2*1-4-36-24(8-7-17-33-29-13-12-26(40(3,37)38)21-31(29)39-2)20-27-28(10-5-11-30(27)36)34-23-14-18-35(19-15-23)25-9-6-16-32-22-25;1-4-36-25(7-6-16-33-29-11-10-26(40(3,37)38)22-31(29)39-2)21-27-28(8-5-9-30(27)36)34-23-14-19-35(20-15-23)24-12-17-32-18-13-24;1-4-36-24(9-8-18-32-28-14-13-25(40(3,37)38)22-30(28)39-2)21-26-27(10-7-11-29(26)36)34-23-15-19-35(20-16-23)31-12-5-6-17-33-31;1-5-17-32(3)40(36,37)24-12-13-27(29(21-24)38-4)30-16-8-9-23-20-25-26(10-7-11-28(25)33(23)6-2)31-22-14-18-39(34,35)19-15-22/h7,10-15,21-24,34,36H,6,16-20H2,1-5H3;2*5-6,9-13,16,20-23,33-34H,4,14-15,17-19H2,1-3H3;5,8-13,17-18,21-23,33-34H,4,14-16,19-20H2,1-3H3;5-7,10-14,17,21-23,32,34H,4,15-16,18-20H2,1-3H3;7,10-13,20-22,30-31H,5-6,14-19H2,1-4H3.

What are the key properties of N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine?

N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine has a molecular weight of 3418.45 g/mol, XLogP of 29.28, 51 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]indol-4-amine;4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-methyl-N-propylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-2-ylpiperidin-4-yl)indol-4-amine;bis(1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-3-ylpiperidin-4-yl)indol-4-amine);1-ethyl-2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indol-4-amine is sourced from PubChem (CID 158595335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).