ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

C108H127N19O12S — CID 158021623

About ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158021623) has the molecular formula C108H127N19O12S and a molecular weight of 1915.39 g/mol. Its IUPAC name is ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 158021623
• Molecular Formula: C108H127N19O12S
• Molecular Weight: 1915.39 g/mol
• Exact Mass: 1913.96
• IUPAC Name: ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)c1
• InChI: InChI=1S/C28H35N5O3.C28H34N4O3.C27H32N4O3S.C25H26N6O3/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-3-31-25-18-22(34-14-6-11-30-12-15-35-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)33-4-2;1-3-31-23-16-20(34-14-6-12-30-13-11-27-29-30)9-10-21(23)22(17-26)24(31)18-7-5-8-19(15-18)28-25(32)33-4-2/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);5,7-11,13,15-16H,3-4,6,12,14H2,1-2H3,(H,28,32)
• InChIKey: FGCZTSRIPZXVPQ-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 348.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.39
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 158021623) is ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)c1.

What is the InChIKey of ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is FGCZTSRIPZXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C28H34N4O3.C27H32N4O3S.C25H26N6O3/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-3-31-25-18-22(34-14-6-11-30-12-15-35-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)33-4-2;1-3-31-23-16-20(34-14-6-12-30-13-11-27-29-30)9-10-21(23)22(17-26)24(31)18-7-5-8-19(15-18)28-25(32)33-4-2/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);5,7-11,13,15-16H,3-4,6,12,14H2,1-2H3,(H,28,32).

What are the key properties of ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 1915.39 g/mol, XLogP of 21.22, 36 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158021623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).