3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate

C164H180N22O16S — CID 157182703

About 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate

3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate (PubChem CID 157182703) has the molecular formula C164H180N22O16S and a molecular weight of 2747.45 g/mol. Its IUPAC name is 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 157182703
• Molecular Formula: C164H180N22O16S
• Molecular Weight: 2747.45 g/mol
• Exact Mass: 2745.37
• IUPAC Name: 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(CC)CC)cc3n2C2CCC2)cc1.CCN(CC)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCN(CCOC)CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)NCCc4ccccn4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C29H34N4O3.C29H28N4O2.C28H32N4O3.C27H32N4O3S.C26H27N3O3.C25H27N3O2/c1-3-36-24-11-12-25-26(20-30)28(33(27(25)19-24)23-5-4-6-23)21-7-9-22(10-8-21)29(34)32-15-13-31(14-16-32)17-18-35-2;1-2-35-24-13-14-25-26(19-30)28(33(27(25)18-24)23-7-5-8-23)20-9-11-21(12-10-20)29(34)32-17-15-22-6-3-4-16-31-22;1-5-31(6-2)27(33)20-12-15-23-24(17-29)26(32(25(23)16-20)22-8-7-9-22)19-10-13-21(14-11-19)30-28(34)35-18(3)4;1-4-16-35(33,34)29-21-13-10-19(11-14-21)26-24(18-28)23-15-12-20(27(32)30(5-2)6-3)17-25(23)31(26)22-8-7-9-22;1-2-32-21-10-11-22-23(15-27)25(29(24(22)14-21)19-4-3-5-19)17-6-8-18(9-7-17)26(31)28-13-12-20(30)16-28;1-16(2)27-18-5-3-17(4-6-18)25-23(14-26)22-10-9-20(30-21-11-12-29-15-21)13-24(22)28(25)19-7-8-19/h7-12,19,23H,3-6,13-18H2,1-2H3;3-4,6,9-14,16,18,23H,2,5,7-8,15,17H2,1H3,(H,32,34);10-16,18,22H,5-9H2,1-4H3,(H,30,34);10-15,17,22,29H,4-9,16H2,1-3H3;6-11,14,19-20,30H,2-5,12-13,16H2,1H3;3-6,9-10,13,16,19,21,27H,7-8,11-12,15H2,1-2H3/t;;;;20-;/m....1./s1
• InChIKey: AOTCPKABYIBOBI-IIBYZPQVSA-N
• XLogP: 32.27
• TPSA: 470.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.45
LogP ≤ 5	32.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate (CID 157182703) is 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate is CC(C)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(CC)CC)cc3n2C2CCC2)cc1.CCN(CC)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCN(CCOC)CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)NCCc4ccccn4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?

The InChIKey is AOTCPKABYIBOBI-IIBYZPQVSA-N. The full InChI is InChI=1S/C29H34N4O3.C29H28N4O2.C28H32N4O3.C27H32N4O3S.C26H27N3O3.C25H27N3O2/c1-3-36-24-11-12-25-26(20-30)28(33(27(25)19-24)23-5-4-6-23)21-7-9-22(10-8-21)29(34)32-15-13-31(14-16-32)17-18-35-2;1-2-35-24-13-14-25-26(19-30)28(33(27(25)18-24)23-7-5-8-23)20-9-11-21(12-10-20)29(34)32-17-15-22-6-3-4-16-31-22;1-5-31(6-2)27(33)20-12-15-23-24(17-29)26(32(25(23)16-20)22-8-7-9-22)19-10-13-21(14-11-19)30-28(34)35-18(3)4;1-4-16-35(33,34)29-21-13-10-19(11-14-21)26-24(18-28)23-15-12-20(27(32)30(5-2)6-3)17-25(23)31(26)22-8-7-9-22;1-2-32-21-10-11-22-23(15-27)25(29(24(22)14-21)19-4-3-5-19)17-6-8-18(9-7-17)26(31)28-13-12-20(30)16-28;1-16(2)27-18-5-3-17(4-6-18)25-23(14-26)22-10-9-20(30-21-11-12-29-15-21)13-24(22)28(25)19-7-8-19/h7-12,19,23H,3-6,13-18H2,1-2H3;3-4,6,9-14,16,18,23H,2,5,7-8,15,17H2,1H3,(H,32,34);10-16,18,22H,5-9H2,1-4H3,(H,30,34);10-15,17,22,29H,4-9,16H2,1-3H3;6-11,14,19-20,30H,2-5,12-13,16H2,1H3;3-6,9-10,13,16,19,21,27H,7-8,11-12,15H2,1-2H3/t;;;;20-;/m....1./s1.

What are the key properties of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?

3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2747.45 g/mol, XLogP of 32.27, 43 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157182703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).