1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate

C110H104N20O10S — CID 157395645

About 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate

1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate (PubChem CID 157395645) has the molecular formula C110H104N20O10S and a molecular weight of 1898.24 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
• PubChem CID: 157395645
• Molecular Formula: C110H104N20O10S
• Molecular Weight: 1898.24 g/mol
• Exact Mass: 1896.80
• IUPAC Name: 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)ccc1NC(=O)OC(C)C.N#Cc1c(-c2ccc(NS(=O)(=O)CC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncccn3)ccc12
• InChI: InChI=1S/C28H27N5O3.C28H27N5O.C27H25N5O3S.C27H25N5O3/c1-17(2)35-28(34)32-24-10-7-20(13-18(24)3)26-23(15-29)22-9-8-21(36-27-30-11-4-12-31-27)14-25(22)33(26)16-19-5-6-19;1-18(2)31-28(34)32-21-12-9-19(10-13-21)27-24(17-29)23-14-11-20(25-8-3-4-15-30-25)16-26(23)33(27)22-6-5-7-22;28-16-24-23-12-11-22(35-27-29-13-2-14-30-27)15-25(23)32(21-9-10-21)26(24)19-5-7-20(8-6-19)31-36(33,34)17-18-3-1-4-18;1-17(2)34-27(33)31-20-8-6-19(7-9-20)25-23(15-28)22-11-10-21(35-26-29-12-3-13-30-26)14-24(22)32(25)16-18-4-5-18/h4,7-14,17,19H,5-6,16H2,1-3H3,(H,32,34);3-4,8-16,18,22H,5-7H2,1-2H3,(H2,31,32,34);2,5-8,11-15,18,21,31H,1,3-4,9-10,17H2;3,6-14,17-18H,4-5,16H2,1-2H3,(H,31,33)
• InChIKey: BMNSJUQQECESFF-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 396.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.24
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate?

The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate (CID 157395645) is 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)ccc1NC(=O)OC(C)C.N#Cc1c(-c2ccc(NS(=O)(=O)CC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncccn3)ccc12.

What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate?

The InChIKey is BMNSJUQQECESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C28H27N5O.C27H25N5O3S.C27H25N5O3/c1-17(2)35-28(34)32-24-10-7-20(13-18(24)3)26-23(15-29)22-9-8-21(36-27-30-11-4-12-31-27)14-25(22)33(26)16-19-5-6-19;1-18(2)31-28(34)32-21-12-9-19(10-13-21)27-24(17-29)23-14-11-20(25-8-3-4-15-30-25)16-26(23)33(27)22-6-5-7-22;28-16-24-23-12-11-22(35-27-29-13-2-14-30-27)15-25(23)32(21-9-10-21)26(24)19-5-7-20(8-6-19)31-36(33,34)17-18-3-1-4-18;1-17(2)34-27(33)31-20-8-6-19(7-9-20)25-23(15-28)22-11-10-21(35-26-29-12-3-13-30-26)14-24(22)32(25)16-18-4-5-18/h4,7-14,17,19H,5-6,16H2,1-3H3,(H,32,34);3-4,8-16,18,22H,5-7H2,1-2H3,(H2,31,32,34);2,5-8,11-15,18,21,31H,1,3-4,9-10,17H2;3,6-14,17-18H,4-5,16H2,1-2H3,(H,31,33).

What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate?

1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate has a molecular weight of 1898.24 g/mol, XLogP of 24.70, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157395645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).