1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile

C156H176F2N24O17 — CID 157140125

About 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile

1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile (PubChem CID 157140125) has the molecular formula C156H176F2N24O17 and a molecular weight of 2697.27 g/mol. Its IUPAC name is 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
• PubChem CID: 157140125
• Molecular Formula: C156H176F2N24O17
• Molecular Weight: 2697.27 g/mol
• Exact Mass: 2695.36
• IUPAC Name: 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
• SMILES: C=CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(C#N)c2ccc(OCC)cc21.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1.CCn1c(-c2cccc(N3CCCC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
• InChI: InChI=1S/C29H37N5O3.C28H32N4O3.C27H30N4O4.C25H30N4O2.C24H22F2N4O2.C23H25N3O3/c1-3-5-12-31-29(35)32-23-9-6-8-22(19-23)28-26(21-30)25-11-10-24(20-27(25)34(28)4-2)37-16-7-13-33-14-17-36-18-15-33;1-2-31-26-19-23(35-15-5-11-30-13-16-34-17-14-30)9-10-24(26)25(20-29)28(31)21-6-3-7-22(18-21)32-12-4-8-27(32)33;1-2-30-25-18-22(34-13-4-9-29-10-14-33-15-11-29)7-8-23(25)24(19-28)26(30)20-5-3-6-21(17-20)31-12-16-35-27(31)32;1-4-7-15-29-23-16-20(31-6-3)12-13-21(23)22(17-26)24(29)18-8-10-19(11-9-18)28-25(30)27-14-5-2;1-2-11-28-24(31)29-17-7-5-16(6-8-17)22-20(13-27)19-10-9-18(32-23(25)26)12-21(19)30(22)14-15-3-4-15;1-5-28-18-11-12-19-20(14-24)22(26(15(3)4)21(19)13-18)16-7-9-17(10-8-16)25-23(27)29-6-2/h6,8-11,19-20H,3-5,7,12-18H2,1-2H3,(H2,31,32,35);3,6-7,9-10,18-19H,2,4-5,8,11-17H2,1H3;3,5-8,17-18H,2,4,9-16H2,1H3;8-13,16H,4-7,14-15H2,1-3H3,(H2,27,28,30);2,5-10,12,15,23H,1,3-4,11,14H2,(H2,28,29,31);7-13,15H,5-6H2,1-4H3,(H,25,27)
• InChIKey: AKCCNMJADJQMOD-UHFFFAOYSA-N
• XLogP: 31.05
• TPSA: 476.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.27
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?

The IUPAC name of 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile (CID 157140125) is 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile.

What is the SMILES notation for 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?

The canonical SMILES for 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile is C=CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(C#N)c2ccc(OCC)cc21.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1.CCn1c(-c2cccc(N3CCCC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.

What is the InChIKey of 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?

The InChIKey is AKCCNMJADJQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3.C28H32N4O3.C27H30N4O4.C25H30N4O2.C24H22F2N4O2.C23H25N3O3/c1-3-5-12-31-29(35)32-23-9-6-8-22(19-23)28-26(21-30)25-11-10-24(20-27(25)34(28)4-2)37-16-7-13-33-14-17-36-18-15-33;1-2-31-26-19-23(35-15-5-11-30-13-16-34-17-14-30)9-10-24(26)25(20-29)28(31)21-6-3-7-22(18-21)32-12-4-8-27(32)33;1-2-30-25-18-22(34-13-4-9-29-10-14-33-15-11-29)7-8-23(25)24(19-28)26(30)20-5-3-6-21(17-20)31-12-16-35-27(31)32;1-4-7-15-29-23-16-20(31-6-3)12-13-21(23)22(17-26)24(29)18-8-10-19(11-9-18)28-25(30)27-14-5-2;1-2-11-28-24(31)29-17-7-5-16(6-8-17)22-20(13-27)19-10-9-18(32-23(25)26)12-21(19)30(22)14-15-3-4-15;1-5-28-18-11-12-19-20(14-24)22(26(15(3)4)21(19)13-18)16-7-9-17(10-8-16)25-23(27)29-6-2/h6,8-11,19-20H,3-5,7,12-18H2,1-2H3,(H2,31,32,35);3,6-7,9-10,18-19H,2,4-5,8,11-17H2,1H3;3,5-8,17-18H,2,4,9-16H2,1H3;8-13,16H,4-7,14-15H2,1-3H3,(H2,27,28,30);2,5-10,12,15,23H,1,3-4,11,14H2,(H2,28,29,31);7-13,15H,5-6H2,1-4H3,(H,25,27).

What are the key properties of 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?

1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile has a molecular weight of 2697.27 g/mol, XLogP of 31.05, 50 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propylurea;1-butyl-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-prop-2-enylurea;ethyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157140125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).