N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate

C162H159N39O18S — CID 157482208

About N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157482208) has the molecular formula C162H159N39O18S and a molecular weight of 2972.38 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 157482208
• Molecular Formula: C162H159N39O18S
• Molecular Weight: 2972.38 g/mol
• Exact Mass: 2970.24
• IUPAC Name: N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2CC2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CC2)cc1)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCc3ncn[nH]3)ccc12
• InChI: InChI=1S/2C28H29N7O3.C27H27N7O3.C27H24N6O3.C27H26N6O3.C25H24N6O3S/c1-18(20-4-5-20)38-28(36)32-22-8-6-21(7-9-22)27-25(15-29)24-11-10-23(37-13-12-35-31-17-30-33-35)14-26(24)34(27)16-19-2-3-19;1-17(19-4-5-19)38-28(36)30-21-8-6-20(7-9-21)27-24(15-29)23-11-10-22(37-13-12-26-31-33-34-32-26)14-25(23)35(27)16-18-2-3-18;1-17(18-2-3-18)37-27(35)31-20-6-4-19(5-7-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-8-9-21)36-13-12-33-30-16-29-32-33;1-16(17-2-3-17)35-27(34)32-19-6-4-18(5-7-19)25-23(13-28)22-11-10-21(36-26-30-14-29-15-31-26)12-24(22)33(25)20-8-9-20;1-16(17-2-3-17)36-27(34)31-19-6-4-18(5-7-19)26-23(13-28)22-11-10-21(35-14-25-29-15-30-32-25)12-24(22)33(26)20-8-9-20;26-13-22-21-11-8-19(34-14-24-27-15-28-29-24)12-23(21)31(18-2-1-3-18)25(22)16-4-6-17(7-5-16)30-35(32,33)20-9-10-20/h6-11,14,17-20H,2-5,12-13,16H2,1H3,(H,32,36);6-11,14,17-19H,2-5,12-13,16H2,1H3,(H,30,36)(H,31,32,33,34);4-7,10-11,14,16-18,21H,2-3,8-9,12-13H2,1H3,(H,31,35);4-7,10-12,14-17,20H,2-3,8-9H2,1H3,(H,32,34);4-7,10-12,15-17,20H,2-3,8-9,14H2,1H3,(H,31,34)(H,29,30,32);4-8,11-12,15,18,20,30H,1-3,9-10,14H2,(H,27,28,29)
• InChIKey: BWHDMMQJFQKHHO-UHFFFAOYSA-N
• XLogP: 30.91
• TPSA: 728.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 52
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2972.38
LogP ≤ 5	30.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 157482208) is N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2CC2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CC2)cc1)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCc3ncn[nH]3)ccc12.

What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is BWHDMMQJFQKHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H29N7O3.C27H27N7O3.C27H24N6O3.C27H26N6O3.C25H24N6O3S/c1-18(20-4-5-20)38-28(36)32-22-8-6-21(7-9-22)27-25(15-29)24-11-10-23(37-13-12-35-31-17-30-33-35)14-26(24)34(27)16-19-2-3-19;1-17(19-4-5-19)38-28(36)30-21-8-6-20(7-9-21)27-24(15-29)23-11-10-22(37-13-12-26-31-33-34-32-26)14-25(23)35(27)16-18-2-3-18;1-17(18-2-3-18)37-27(35)31-20-6-4-19(5-7-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-8-9-21)36-13-12-33-30-16-29-32-33;1-16(17-2-3-17)35-27(34)32-19-6-4-18(5-7-19)25-23(13-28)22-11-10-21(36-26-30-14-29-15-31-26)12-24(22)33(25)20-8-9-20;1-16(17-2-3-17)36-27(34)31-19-6-4-18(5-7-19)26-23(13-28)22-11-10-21(35-14-25-29-15-30-32-25)12-24(22)33(26)20-8-9-20;26-13-22-21-11-8-19(34-14-24-27-15-28-29-24)12-23(21)31(18-2-1-3-18)25(22)16-4-6-17(7-5-16)30-35(32,33)20-9-10-20/h6-11,14,17-20H,2-5,12-13,16H2,1H3,(H,32,36);6-11,14,17-19H,2-5,12-13,16H2,1H3,(H,30,36)(H,31,32,33,34);4-7,10-11,14,16-18,21H,2-3,8-9,12-13H2,1H3,(H,31,35);4-7,10-12,14-17,20H,2-3,8-9H2,1H3,(H,32,34);4-7,10-12,15-17,20H,2-3,8-9,14H2,1H3,(H,31,34)(H,29,30,32);4-8,11-12,15,18,20,30H,1-3,9-10,14H2,(H,27,28,29).

What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?

N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2972.38 g/mol, XLogP of 30.91, 52 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157482208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).