N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate

C148H162N20O19S5 — CID 158599610

About N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate (PubChem CID 158599610) has the molecular formula C148H162N20O19S5 and a molecular weight of 2685.38 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate
• PubChem CID: 158599610
• Molecular Formula: C148H162N20O19S5
• Molecular Weight: 2685.38 g/mol
• Exact Mass: 2683.09
• IUPAC Name: N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate
• SMILES: CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCC)cc3)n(C(C)C)c2c1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(Oc3ncccn3)ccc12
• InChI: InChI=1S/C27H27N3O4.C26H23N5O3S.C24H27N3O3S.2C24H29N3O3S.C23H27N3O3S/c1-16(17-6-7-17)34-27(32)29-20-11-8-18(9-12-20)25-23(15-28)22-13-10-19(26(31)33-2)14-24(22)30(25)21-4-3-5-21;27-15-23-22-11-8-20(34-26-28-12-1-13-29-26)14-24(22)31(16-17-2-3-17)25(23)18-4-6-19(7-5-18)30-35(32,33)21-9-10-21;1-4-13-30-19-9-12-21-22(15-25)24(27(16(2)3)23(21)14-19)17-5-7-18(8-6-17)26-31(28,29)20-10-11-20;1-6-13-30-20-11-12-21-22(15-25)24(27(16(2)3)23(21)14-20)18-7-9-19(10-8-18)26-31(28,29)17(4)5;1-5-13-30-20-11-12-21-22(16-25)24(27(17(3)4)23(21)15-20)18-7-9-19(10-8-18)26-31(28,29)14-6-2;1-5-13-29-19-11-12-20-21(15-24)23(26(16(3)4)22(20)14-19)17-7-9-18(10-8-17)25-30(27,28)6-2/h8-14,16-17,21H,3-7H2,1-2H3,(H,29,32);1,4-8,11-14,17,21,30H,2-3,9-10,16H2;5-9,12,14,16,20,26H,4,10-11,13H2,1-3H3;7-12,14,16-17,26H,6,13H2,1-5H3;7-12,15,17,26H,5-6,13-14H2,1-4H3;7-12,14,16,25H,5-6,13H2,1-4H3/t16-;;;;;/m1...../s1
• InChIKey: HVLXLHPASUWRCP-NSQCPRBHSA-N
• XLogP: 33.28
• TPSA: 539.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2685.38
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate?

The IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate (CID 158599610) is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate.

What is the SMILES notation for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate?

The canonical SMILES for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate is CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCC)cc3)n(C(C)C)c2c1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(Oc3ncccn3)ccc12.

What is the InChIKey of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate?

The InChIKey is HVLXLHPASUWRCP-NSQCPRBHSA-N. The full InChI is InChI=1S/C27H27N3O4.C26H23N5O3S.C24H27N3O3S.2C24H29N3O3S.C23H27N3O3S/c1-16(17-6-7-17)34-27(32)29-20-11-8-18(9-12-20)25-23(15-28)22-13-10-19(26(31)33-2)14-24(22)30(25)21-4-3-5-21;27-15-23-22-11-8-20(34-26-28-12-1-13-29-26)14-24(22)31(16-17-2-3-17)25(23)18-4-6-19(7-5-18)30-35(32,33)21-9-10-21;1-4-13-30-19-9-12-21-22(15-25)24(27(16(2)3)23(21)14-19)17-5-7-18(8-6-17)26-31(28,29)20-10-11-20;1-6-13-30-20-11-12-21-22(15-25)24(27(16(2)3)23(21)14-20)18-7-9-19(10-8-18)26-31(28,29)17(4)5;1-5-13-30-20-11-12-21-22(16-25)24(27(17(3)4)23(21)15-20)18-7-9-19(10-8-18)26-31(28,29)14-6-2;1-5-13-29-19-11-12-20-21(15-24)23(26(16(3)4)22(20)14-19)17-7-9-18(10-8-17)25-30(27,28)6-2/h8-14,16-17,21H,3-7H2,1-2H3,(H,29,32);1,4-8,11-14,17,21,30H,2-3,9-10,16H2;5-9,12,14,16,20,26H,4,10-11,13H2,1-3H3;7-12,14,16-17,26H,6,13H2,1-5H3;7-12,15,17,26H,5-6,13-14H2,1-4H3;7-12,14,16,25H,5-6,13H2,1-4H3/t16-;;;;;/m1...../s1.

What are the key properties of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate?

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate has a molecular weight of 2685.38 g/mol, XLogP of 33.28, 47 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate is sourced from PubChem (CID 158599610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).