N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride

C129H145BBr3Cl6F5N20O16S5 — CID 162050715

IUPACN-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride
SMILESCC(C)c1nc(-c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(Br)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)OC1(C)C.CNC1CC=C(c2cnc(N)c3c(-c4ccc(NS(=O)(=O)Cc5ccccc5Cl)c(F)c4)nc(C(C)C)n23)CC1.Nc1ccc(Br)cc1F.O=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F.O=S(=O)(Cl)Cc1ccccc1Cl
InChIInChI=1S/C34H40ClFN6O4S.C29H32ClFN6O2S.C21H30BrN5O2.C19H22BClFNO4S.C13H10BrClFNO2S.C7H6Cl2O2S.C6H5BrFN/c1-20(2)32-39-29(22-13-16-27(26(36)17-22)40-47(44,45)19-23-9-7-8-10-25(23)35)30-31(37)38-18-28(42(30)32)21-11-14-24(15-12-21)41(6)33(43)46-34(3,4)5;1-17(2)29-35-26(27-28(32)34-15-25(37(27)29)18-8-11-21(33-3)12-9-18)19-10-13-24(23(31)14-19)36-40(38,39)16-20-6-4-5-7-22(20)30;1-12(2)19-25-17(22)16-18(23)24-11-15(27(16)19)13-7-9-14(10-8-13)26(6)20(28)29-21(3,4)5;1-18(2)19(3,4)27-20(26-18)14-9-10-17(16(22)11-14)23-28(24,25)12-13-7-5-6-8-15(13)21;14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15;8-7-4-2-1-3-6(7)5-12(9,10)11;7-4-1-2-6(9)5(8)3-4/h7-11,13,16-18,20,24,40H,12,14-15,19H2,1-6H3,(H2,37,38);4-8,10,13-15,17,21,33,36H,9,11-12,16H2,1-3H3,(H2,32,34);7,11-12,14H,8-10H2,1-6H3,(H2,23,24);5-11,23H,12H2,1-4H3;1-7,17H,8H2;1-4H,5H2;1-3H,9H2
InChIKeyYYMYNPTZENDGGV-UHFFFAOYSA-N
MW2950.27 g/mol
LogP31.11
Rot. Bonds30

About N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride

N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride (PubChem CID 162050715) has the molecular formula C129H145BBr3Cl6F5N20O16S5 and a molecular weight of 2950.27 g/mol. Its IUPAC name is N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound NameN-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride
PubChem CID162050715
Molecular FormulaC129H145BBr3Cl6F5N20O16S5
Molecular Weight2950.27 g/mol
Exact Mass2942.54
IUPAC NameN-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride
SMILESCC(C)c1nc(-c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(Br)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)OC1(C)C.CNC1CC=C(c2cnc(N)c3c(-c4ccc(NS(=O)(=O)Cc5ccccc5Cl)c(F)c4)nc(C(C)C)n23)CC1.Nc1ccc(Br)cc1F.O=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F.O=S(=O)(Cl)Cc1ccccc1Cl
InChIInChI=1S/C34H40ClFN6O4S.C29H32ClFN6O2S.C21H30BrN5O2.C19H22BClFNO4S.C13H10BrClFNO2S.C7H6Cl2O2S.C6H5BrFN/c1-20(2)32-39-29(22-13-16-27(26(36)17-22)40-47(44,45)19-23-9-7-8-10-25(23)35)30-31(37)38-18-28(42(30)32)21-11-14-24(15-12-21)41(6)33(43)46-34(3,4)5;1-17(2)29-35-26(27-28(32)34-15-25(37(27)29)18-8-11-21(33-3)12-9-18)19-10-13-24(23(31)14-19)36-40(38,39)16-20-6-4-5-7-22(20)30;1-12(2)19-25-17(22)16-18(23)24-11-15(27(16)19)13-7-9-14(10-8-13)26(6)20(28)29-21(3,4)5;1-18(2)19(3,4)27-20(26-18)14-9-10-17(16(22)11-14)23-28(24,25)12-13-7-5-6-8-15(13)21;14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15;8-7-4-2-1-3-6(7)5-12(9,10)11;7-4-1-2-6(9)5(8)3-4/h7-11,13,16-18,20,24,40H,12,14-15,19H2,1-6H3,(H2,37,38);4-8,10,13-15,17,21,33,36H,9,11-12,16H2,1-3H3,(H2,32,34);7,11-12,14H,8-10H2,1-6H3,(H2,23,24);5-11,23H,12H2,1-4H3;1-7,17H,8H2;1-4H,5H2;1-3H,9H2
InChIKeyYYMYNPTZENDGGV-UHFFFAOYSA-N
XLogP31.11
TPSA503.04 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.27
LogP ≤ 531.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride with MolForge

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Related Compounds

CID 165036293
CID 165036293
N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one
CID 165108211
8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carbaldehyde;N-[4-[8-amino-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;N-[4-[8-amino-5-(piperidin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;1-bromo-8-chloro-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carbaldehyde;tert-butyl 4-[(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;8-chloro-3-propan-2-ylimidazo[1,5-a]pyrazine;8-chloro-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carbaldehyde
CID 158999690
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide;3-bromoimidazo[1,2-a]pyridine;N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide;N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide
CID 159339497

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride?
The IUPAC name of N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride (CID 162050715) is N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride?
The canonical SMILES for N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride is CC(C)c1nc(-c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(Br)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)c(F)c2)OC1(C)C.CNC1CC=C(c2cnc(N)c3c(-c4ccc(NS(=O)(=O)Cc5ccccc5Cl)c(F)c4)nc(C(C)C)n23)CC1.Nc1ccc(Br)cc1F.O=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F.O=S(=O)(Cl)Cc1ccccc1Cl.
What is the InChIKey of N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride?
The InChIKey is YYMYNPTZENDGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClFN6O4S.C29H32ClFN6O2S.C21H30BrN5O2.C19H22BClFNO4S.C13H10BrClFNO2S.C7H6Cl2O2S.C6H5BrFN/c1-20(2)32-39-29(22-13-16-27(26(36)17-22)40-47(44,45)19-23-9-7-8-10-25(23)35)30-31(37)38-18-28(42(30)32)21-11-14-24(15-12-21)41(6)33(43)46-34(3,4)5;1-17(2)29-35-26(27-28(32)34-15-25(37(27)29)18-8-11-21(33-3)12-9-18)19-10-13-24(23(31)14-19)36-40(38,39)16-20-6-4-5-7-22(20)30;1-12(2)19-25-17(22)16-18(23)24-11-15(27(16)19)13-7-9-14(10-8-13)26(6)20(28)29-21(3,4)5;1-18(2)19(3,4)27-20(26-18)14-9-10-17(16(22)11-14)23-28(24,25)12-13-7-5-6-8-15(13)21;14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15;8-7-4-2-1-3-6(7)5-12(9,10)11;7-4-1-2-6(9)5(8)3-4/h7-11,13,16-18,20,24,40H,12,14-15,19H2,1-6H3,(H2,37,38);4-8,10,13-15,17,21,33,36H,9,11-12,16H2,1-3H3,(H2,32,34);7,11-12,14H,8-10H2,1-6H3,(H2,23,24);5-11,23H,12H2,1-4H3;1-7,17H,8H2;1-4H,5H2;1-3H,9H2.
What are the key properties of N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride?
N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride has a molecular weight of 2950.27 g/mol, XLogP of 31.11, 30 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-chlorophenyl)methanesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)methylsulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-(2-chlorophenyl)-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide;(2-chlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 162050715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).