bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate

C169H160F3N29O15S3 — CID 157377299

About bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate

bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate (PubChem CID 157377299) has the molecular formula C169H160F3N29O15S3 and a molecular weight of 2990.52 g/mol. Its IUPAC name is bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate
• PubChem CID: 157377299
• Molecular Formula: C169H160F3N29O15S3
• Molecular Weight: 2990.52 g/mol
• Exact Mass: 2988.18
• IUPAC Name: bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cc(C)ccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2CC2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2CC2CC2)cc1)C(F)(F)F.Cc1ccc(-c2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)nc1
• InChI: InChI=1S/C31H30N4O2.C29H32N4O2.C28H28N4O2S.C27H22F3N5O3.2C27H24N6O3S/c1-19-6-15-28(33-18-19)23-11-14-26-27(17-32)30(35(29(26)16-23)25-4-3-5-25)22-9-12-24(13-10-22)34-31(36)37-20(2)21-7-8-21;1-19(21-6-7-21)35-29(34)31-23-10-8-22(9-11-23)28-26(17-30)25-13-12-24(32-14-2-3-15-32)16-27(25)33(28)18-20-4-5-20;1-3-15-35(33,34)31-22-10-7-20(8-11-22)28-25(18-29)24-12-9-21(26-16-19(2)13-14-30-26)17-27(24)32(28)23-5-4-6-23;1-16(27(28,29)30)37-26(36)34-19-6-4-18(5-7-19)25-22(13-31)21-9-8-20(38-24-14-32-10-11-33-24)12-23(21)35(25)15-17-2-3-17;2*1-2-14-37(34,35)32-19-8-6-18(7-9-19)26-23(16-28)22-11-10-21(15-25(22)33(26)20-4-3-5-20)36-27-24(17-29)30-12-13-31-27/h6,9-16,18,20-21,25H,3-5,7-8H2,1-2H3,(H,34,36);8-13,16,19-21H,2-7,14-15,18H2,1H3,(H,31,34);7-14,16-17,23,31H,3-6,15H2,1-2H3;4-12,14,16-17H,2-3,15H2,1H3,(H,34,36);2*6-13,15,20,32H,2-5,14H2,1H3/t20-;19-;;16-;;/m11.1../s1
• InChIKey: BKLUKSFETGWBTR-BFTOQLHXSA-N
• XLogP: 38.28
• TPSA: 607.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2990.52
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate?

The IUPAC name of bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate (CID 157377299) is bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cc(C)ccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2CC2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2CC2CC2)cc1)C(F)(F)F.Cc1ccc(-c2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)nc1.

What is the InChIKey of bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate?

The InChIKey is BKLUKSFETGWBTR-BFTOQLHXSA-N. The full InChI is InChI=1S/C31H30N4O2.C29H32N4O2.C28H28N4O2S.C27H22F3N5O3.2C27H24N6O3S/c1-19-6-15-28(33-18-19)23-11-14-26-27(17-32)30(35(29(26)16-23)25-4-3-5-25)22-9-12-24(13-10-22)34-31(36)37-20(2)21-7-8-21;1-19(21-6-7-21)35-29(34)31-23-10-8-22(9-11-23)28-26(17-30)25-13-12-24(32-14-2-3-15-32)16-27(25)33(28)18-20-4-5-20;1-3-15-35(33,34)31-22-10-7-20(8-11-22)28-25(18-29)24-12-9-21(26-16-19(2)13-14-30-26)17-27(24)32(28)23-5-4-6-23;1-16(27(28,29)30)37-26(36)34-19-6-4-18(5-7-19)25-22(13-31)21-9-8-20(38-24-14-32-10-11-33-24)12-23(21)35(25)15-17-2-3-17;2*1-2-14-37(34,35)32-19-8-6-18(7-9-19)26-23(16-28)22-11-10-21(15-25(22)33(26)20-4-3-5-20)36-27-24(17-29)30-12-13-31-27/h6,9-16,18,20-21,25H,3-5,7-8H2,1-2H3,(H,34,36);8-13,16,19-21H,2-7,14-15,18H2,1H3,(H,31,34);7-14,16-17,23,31H,3-6,15H2,1-2H3;4-12,14,16-17H,2-3,15H2,1H3,(H,34,36);2*6-13,15,20,32H,2-5,14H2,1H3/t20-;19-;;16-;;/m11.1../s1.

What are the key properties of bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate?

bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate has a molecular weight of 2990.52 g/mol, XLogP of 38.28, 43 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157377299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).