1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate

C161H143F3N36O15S — CID 157159756

About 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate

1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate (PubChem CID 157159756) has the molecular formula C161H143F3N36O15S and a molecular weight of 2911.21 g/mol. Its IUPAC name is 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate
• PubChem CID: 157159756
• Molecular Formula: C161H143F3N36O15S
• Molecular Weight: 2911.21 g/mol
• Exact Mass: 2909.12
• IUPAC Name: 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N.CC(C)Nc1ncc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cn1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N)C1CC1.C[C@@H](OC(=O)Nc1ccc(C2=C(C#N)c3ccc(Oc4ncccn4)cc3C2N2CCC2)cn1)C(F)(F)F.O=S1(=O)CCCN1c1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1
• InChI: InChI=1S/C30H26N6O3.C28H25N7O2.C28H24N6O3.C26H21F3N6O3.C25H24N4O3S.C24H23N7O/c1-18(19-6-7-19)38-30(37)35-26-11-8-20(14-21(26)16-31)28-25(17-32)24-10-9-23(39-29-33-12-3-13-34-29)15-27(24)36(28)22-4-2-5-22;1-17(2)33-27(36)34-24-10-7-18(13-19(24)15-29)26-23(16-30)22-9-8-21(37-28-31-11-4-12-32-28)14-25(22)35(26)20-5-3-6-20;1-17(2)36-28(35)33-24-10-7-18(13-19(24)15-29)26-23(16-30)22-9-8-21(37-27-31-11-4-12-32-27)14-25(22)34(26)20-5-3-6-20;1-15(26(27,28)29)37-25(36)34-21-7-4-16(14-33-21)22-20(13-30)18-6-5-17(38-24-31-8-2-9-32-24)12-19(18)23(22)35-10-3-11-35;30-33(31)14-2-13-29(33)21-8-5-19(6-9-21)23-15-20-7-10-22(32-25-26-11-1-12-27-25)16-24(20)28(23)17-18-3-4-18;1-15(2)30-23-28-13-16(14-29-23)22-20(12-25)19-8-7-18(32-24-26-9-4-10-27-24)11-21(19)31(22)17-5-3-6-17/h3,8-15,18-19,22H,2,4-7H2,1H3,(H,35,37);4,7-14,17,20H,3,5-6H2,1-2H3,(H2,33,34,36);4,7-14,17,20H,3,5-6H2,1-2H3,(H,33,35);2,4-9,12,14-15,23H,3,10-11H2,1H3,(H,33,34,36);1,5-12,15-16,18H,2-4,13-14,17H2;4,7-11,13-15,17H,3,5-6H2,1-2H3,(H,28,29,30)/t18-;;;15-,23?;;/m1..1../s1
• InChIKey: AMFPOGNBVPMQAV-PPRHXQKFSA-N
• XLogP: 34.21
• TPSA: 672.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 37
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2911.21
LogP ≤ 5	34.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate?

The IUPAC name of 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate (CID 157159756) is 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate?

The canonical SMILES for 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N.CC(C)Nc1ncc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cn1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C#N)C1CC1.C[C@@H](OC(=O)Nc1ccc(C2=C(C#N)c3ccc(Oc4ncccn4)cc3C2N2CCC2)cn1)C(F)(F)F.O=S1(=O)CCCN1c1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.

What is the InChIKey of 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate?

The InChIKey is AMFPOGNBVPMQAV-PPRHXQKFSA-N. The full InChI is InChI=1S/C30H26N6O3.C28H25N7O2.C28H24N6O3.C26H21F3N6O3.C25H24N4O3S.C24H23N7O/c1-18(19-6-7-19)38-30(37)35-26-11-8-20(14-21(26)16-31)28-25(17-32)24-10-9-23(39-29-33-12-3-13-34-29)15-27(24)36(28)22-4-2-5-22;1-17(2)33-27(36)34-24-10-7-18(13-19(24)15-29)26-23(16-30)22-9-8-21(37-28-31-11-4-12-32-28)14-25(22)35(26)20-5-3-6-20;1-17(2)36-28(35)33-24-10-7-18(13-19(24)15-29)26-23(16-30)22-9-8-21(37-27-31-11-4-12-32-27)14-25(22)34(26)20-5-3-6-20;1-15(26(27,28)29)37-25(36)34-21-7-4-16(14-33-21)22-20(13-30)18-6-5-17(38-24-31-8-2-9-32-24)12-19(18)23(22)35-10-3-11-35;30-33(31)14-2-13-29(33)21-8-5-19(6-9-21)23-15-20-7-10-22(32-25-26-11-1-12-27-25)16-24(20)28(23)17-18-3-4-18;1-15(2)30-23-28-13-16(14-29-23)22-20(12-25)19-8-7-18(32-24-26-9-4-10-27-24)11-21(19)31(22)17-5-3-6-17/h3,8-15,18-19,22H,2,4-7H2,1H3,(H,35,37);4,7-14,17,20H,3,5-6H2,1-2H3,(H2,33,34,36);4,7-14,17,20H,3,5-6H2,1-2H3,(H,33,35);2,4-9,12,14-15,23H,3,10-11H2,1H3,(H,33,34,36);1,5-12,15-16,18H,2-4,13-14,17H2;4,7-11,13-15,17H,3,5-6H2,1-2H3,(H,28,29,30)/t18-;;;15-,23?;;/m1..1../s1.

What are the key properties of 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate?

1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate has a molecular weight of 2911.21 g/mol, XLogP of 34.21, 37 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 157159756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).