2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane

C135H155BCl3F3N16O14S — CID 160526259

IUPAC2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane
SMILESC.CC1(C)CC(C2CC(C)(C)C(C)(C)C2)CC1(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OS(=O)(=O)C(F)(F)F)cc3n2C2CCC2)cc1)C1CC1.ClCCl.Clc1ncccn1
InChIInChI=1S/C31H36BN3O4.C29H27N5O2.C26H24F3N3O5S.C25H25N3O3.C18H34.C4H3ClN2.CH2Cl2.CH4/c1-19(20-9-10-20)37-29(36)34-23-14-11-21(12-15-23)28-26(18-33)25-16-13-22(17-27(25)35(28)24-7-6-8-24)32-38-30(2,3)31(4,5)39-32;1-18(19-6-7-19)36-29(35)33-22-11-8-20(9-12-22)27-25(17-30)24-13-10-21(28-31-14-3-15-32-28)16-26(24)34(27)23-4-2-5-23;1-15(16-5-6-16)36-25(33)31-18-9-7-17(8-10-18)24-22(14-30)21-12-11-20(37-38(34,35)26(27,28)29)13-23(21)32(24)19-3-2-4-19;1-15(16-5-6-16)31-25(30)27-18-9-7-17(8-10-18)24-22(14-26)21-12-11-20(29)13-23(21)28(24)19-3-2-4-19;1-15(2)9-13(10-16(15,3)4)14-11-17(5,6)18(7,8)12-14;5-4-6-2-1-3-7-4;2-1-3;/h11-17,19-20,24H,6-10H2,1-5H3,(H,34,36);3,8-16,18-19,23H,2,4-7H2,1H3,(H,33,35);7-13,15-16,19H,2-6H2,1H3,(H,31,33);7-13,15-16,19,29H,2-6H2,1H3,(H,27,30);13-14H,9-12H2,1-8H3;1-3H;1H2;1H4/t19-;18-;2*15-;;;;/m1111..../s1
InChIKeyQUXWMPNKPFWCOO-AZXVWQPFSA-N
MW2432.05 g/mol
LogP34.80
Rot. Bonds25

About 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane

2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane (PubChem CID 160526259) has the molecular formula C135H155BCl3F3N16O14S and a molecular weight of 2432.05 g/mol. Its IUPAC name is 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane.

Molecular Properties

Compound Name2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane
PubChem CID160526259
Molecular FormulaC135H155BCl3F3N16O14S
Molecular Weight2432.05 g/mol
Exact Mass2429.07
IUPAC Name2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane
SMILESC.CC1(C)CC(C2CC(C)(C)C(C)(C)C2)CC1(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OS(=O)(=O)C(F)(F)F)cc3n2C2CCC2)cc1)C1CC1.ClCCl.Clc1ncccn1
InChIInChI=1S/C31H36BN3O4.C29H27N5O2.C26H24F3N3O5S.C25H25N3O3.C18H34.C4H3ClN2.CH2Cl2.CH4/c1-19(20-9-10-20)37-29(36)34-23-14-11-21(12-15-23)28-26(18-33)25-16-13-22(17-27(25)35(28)24-7-6-8-24)32-38-30(2,3)31(4,5)39-32;1-18(19-6-7-19)36-29(35)33-22-11-8-20(9-12-22)27-25(17-30)24-13-10-21(28-31-14-3-15-32-28)16-26(24)34(27)23-4-2-5-23;1-15(16-5-6-16)36-25(33)31-18-9-7-17(8-10-18)24-22(14-30)21-12-11-20(37-38(34,35)26(27,28)29)13-23(21)32(24)19-3-2-4-19;1-15(16-5-6-16)31-25(30)27-18-9-7-17(8-10-18)24-22(14-26)21-12-11-20(29)13-23(21)28(24)19-3-2-4-19;1-15(2)9-13(10-16(15,3)4)14-11-17(5,6)18(7,8)12-14;5-4-6-2-1-3-7-4;2-1-3;/h11-17,19-20,24H,6-10H2,1-5H3,(H,34,36);3,8-16,18-19,23H,2,4-7H2,1H3,(H,33,35);7-13,15-16,19H,2-6H2,1H3,(H,31,33);7-13,15-16,19,29H,2-6H2,1H3,(H,27,30);13-14H,9-12H2,1-8H3;1-3H;1H2;1H4/t19-;18-;2*15-;;;;/m1111..../s1
InChIKeyQUXWMPNKPFWCOO-AZXVWQPFSA-N
XLogP34.80
TPSA401.82 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002432.05
LogP ≤ 534.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane with MolForge

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Related Compounds

2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157204313
2-chloropyrimidine;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-methylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157636838
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
CID 158712446
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 160141148
N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 162118740

Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane?
The IUPAC name of 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane (CID 160526259) is 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane.
What is the SMILES notation for 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane?
The canonical SMILES for 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane is C.CC1(C)CC(C2CC(C)(C)C(C)(C)C2)CC1(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OS(=O)(=O)C(F)(F)F)cc3n2C2CCC2)cc1)C1CC1.ClCCl.Clc1ncccn1.
What is the InChIKey of 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane?
The InChIKey is QUXWMPNKPFWCOO-AZXVWQPFSA-N. The full InChI is InChI=1S/C31H36BN3O4.C29H27N5O2.C26H24F3N3O5S.C25H25N3O3.C18H34.C4H3ClN2.CH2Cl2.CH4/c1-19(20-9-10-20)37-29(36)34-23-14-11-21(12-15-23)28-26(18-33)25-16-13-22(17-27(25)35(28)24-7-6-8-24)32-38-30(2,3)31(4,5)39-32;1-18(19-6-7-19)36-29(35)33-22-11-8-20(9-12-22)27-25(17-30)24-13-10-21(28-31-14-3-15-32-28)16-26(24)34(27)23-4-2-5-23;1-15(16-5-6-16)36-25(33)31-18-9-7-17(8-10-18)24-22(14-30)21-12-11-20(37-38(34,35)26(27,28)29)13-23(21)32(24)19-3-2-4-19;1-15(16-5-6-16)31-25(30)27-18-9-7-17(8-10-18)24-22(14-26)21-12-11-20(29)13-23(21)28(24)19-3-2-4-19;1-15(2)9-13(10-16(15,3)4)14-11-17(5,6)18(7,8)12-14;5-4-6-2-1-3-7-4;2-1-3;/h11-17,19-20,24H,6-10H2,1-5H3,(H,34,36);3,8-16,18-19,23H,2,4-7H2,1H3,(H,33,35);7-13,15-16,19H,2-6H2,1H3,(H,31,33);7-13,15-16,19,29H,2-6H2,1H3,(H,27,30);13-14H,9-12H2,1-8H3;1-3H;1H2;1H4/t19-;18-;2*15-;;;;/m1111..../s1.
What are the key properties of 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane?
2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane has a molecular weight of 2432.05 g/mol, XLogP of 34.80, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;methane;1,1,2,2-tetramethyl-4-(3,3,4,4-tetramethylcyclopentyl)cyclopentane is sourced from PubChem (CID 160526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).