1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea

C137H141N31O11S — CID 158189290

About 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 158189290) has the molecular formula C137H141N31O11S and a molecular weight of 2429.91 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
• PubChem CID: 158189290
• Molecular Formula: C137H141N31O11S
• Molecular Weight: 2429.91 g/mol
• Exact Mass: 2428.11
• IUPAC Name: 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1)C1CC1.CC(NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CCC2)cc1)C1CC1
• InChI: InChI=1S/C29H30N6O2.C28H29N7O2.C27H27N5O3.C27H27N5O2S.C26H28N8O2/c1-18(19-5-6-19)33-29(36)34-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(37-17-27-31-13-14-32-27)15-26(24)35(28)22-3-2-4-22;1-17(18-5-6-18)32-28(36)33-20-9-7-19(8-10-20)27-24(14-29)23-12-11-22(37-15-26-30-16-31-34-26)13-25(23)35(27)21-3-2-4-21;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-16-25-29-11-12-34-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-35-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-26(35)31-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(36-12-11-34-29-16-28-32-34)13-24(22)33(25)15-18-3-4-18/h7-15,18-19,22H,2-6,17H2,1H3,(H,31,32)(H2,33,34,36);7-13,16-18,21H,2-6,15H2,1H3,(H,30,31,34)(H2,32,33,36);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H2,30,31,33);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H2,30,31,35)
• InChIKey: FZNUGTVDAXKKBN-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 548.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.91
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 158189290) is 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1)C1CC1.CC(NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CCC2)cc1)C1CC1.

What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The InChIKey is FZNUGTVDAXKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C28H29N7O2.C27H27N5O3.C27H27N5O2S.C26H28N8O2/c1-18(19-5-6-19)33-29(36)34-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(37-17-27-31-13-14-32-27)15-26(24)35(28)22-3-2-4-22;1-17(18-5-6-18)32-28(36)33-20-9-7-19(8-10-20)27-24(14-29)23-12-11-22(37-15-26-30-16-31-34-26)13-25(23)35(27)21-3-2-4-21;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-16-25-29-11-12-34-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-35-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-26(35)31-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(36-12-11-34-29-16-28-32-34)13-24(22)33(25)15-18-3-4-18/h7-15,18-19,22H,2-6,17H2,1H3,(H,31,32)(H2,33,34,36);7-13,16-18,21H,2-6,15H2,1H3,(H,30,31,34)(H2,32,33,36);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H2,30,31,33);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H2,30,31,35).

What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 2429.91 g/mol, XLogP of 27.68, 41 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-(1-cyclopropylethyl)urea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 158189290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).