lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C95H101BBr4Cl3F6ILiN14NaO14 — CID 167560243

IUPAClithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC(C)I.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1ccc2cc(C(=O)O)cc(Br)c21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2[nH]ccc2c1.COC(=O)c1cc(Br)c2c(ccn2C(C)C)c1.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.[H-].[Li+].[Na+]
InChIInChI=1S/C22H19ClF2N4O2.C19H16BrClF2N2O2.C13H14BrNO2.C12H12BrNO2.C10H8BrNO2.C9H15BN2O2.C7H6ClF2NO.C3H7I.Li.H3N2O.Na.H/c1-13(2)29-10-8-14-11-15(12-18(20(14)29)19-7-9-26-28-19)21(30)27-16-3-5-17(6-4-16)31-22(23,24)25;1-11(2)25-8-7-12-9-13(10-16(20)17(12)25)18(26)24-14-3-5-15(6-4-14)27-19(21,22)23;1-8(2)15-5-4-9-6-10(13(16)17-3)7-11(14)12(9)15;1-7(2)14-4-3-8-5-9(12(15)16)6-10(13)11(8)14;1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;1-3(2)4;;1-2-3;;/h3-13H,1-2H3,(H,26,28)(H,27,30);3-11H,1-2H3,(H,24,26);4-8H,1-3H3;3-7H,1-2H3,(H,15,16);2-5,12H,1H3;5-6H,1-4H3,(H,11,12);1-4H,11H2;3H,1-2H3;;3H,1H2;;/q;;;;;;;;+1;-1;+1;-1
InChIKeyAEFUVRXWJJTNIV-UHFFFAOYSA-N
MW2370.55 g/mol
LogP21.33
Rot. Bonds19

About lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167560243) has the molecular formula C95H101BBr4Cl3F6ILiN14NaO14 and a molecular weight of 2370.55 g/mol. Its IUPAC name is lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Namelithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
PubChem CID167560243
Molecular FormulaC95H101BBr4Cl3F6ILiN14NaO14
Molecular Weight2370.55 g/mol
Exact Mass2364.25
IUPAC Namelithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC(C)I.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1ccc2cc(C(=O)O)cc(Br)c21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2[nH]ccc2c1.COC(=O)c1cc(Br)c2c(ccn2C(C)C)c1.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.[H-].[Li+].[Na+]
InChIInChI=1S/C22H19ClF2N4O2.C19H16BrClF2N2O2.C13H14BrNO2.C12H12BrNO2.C10H8BrNO2.C9H15BN2O2.C7H6ClF2NO.C3H7I.Li.H3N2O.Na.H/c1-13(2)29-10-8-14-11-15(12-18(20(14)29)19-7-9-26-28-19)21(30)27-16-3-5-17(6-4-16)31-22(23,24)25;1-11(2)25-8-7-12-9-13(10-16(20)17(12)25)18(26)24-14-3-5-15(6-4-14)27-19(21,22)23;1-8(2)15-5-4-9-6-10(13(16)17-3)7-11(14)12(9)15;1-7(2)14-4-3-8-5-9(12(15)16)6-10(13)11(8)14;1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;1-3(2)4;;1-2-3;;/h3-13H,1-2H3,(H,26,28)(H,27,30);3-11H,1-2H3,(H,24,26);4-8H,1-3H3;3-7H,1-2H3,(H,15,16);2-5,12H,1H3;5-6H,1-4H3,(H,11,12);1-4H,11H2;3H,1-2H3;;3H,1H2;;/q;;;;;;;;+1;-1;+1;-1
InChIKeyAEFUVRXWJJTNIV-UHFFFAOYSA-N
XLogP21.33
TPSA373.49 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.55
LogP ≤ 521.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole with MolForge

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Related Compounds

CID 167577976
CID 167577976
lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindazole-5-carboxamide;7-bromo-1-propan-2-ylindazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indazole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indazole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindazole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167663465
lithium;3-[acetyl(methyl)amino]-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-[acetyl(methyl)amino]-5-bromo-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxylic acid;3-[acetyl(methyl)amino]-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;amino(hydroxy)azanide;4-[chloro(difluoro)methoxy]aniline;methane;methyl 3-acetamido-5-bromo-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxylate;methyl 3-[acetyl(methyl)amino]-5-bromo-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxylate;methyl 3-amino-5-bromo-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167666722

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The IUPAC name of lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167560243) is lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.
What is the SMILES notation for lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The canonical SMILES for lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC(C)I.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.CC(C)n1ccc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC(C)n1ccc2cc(C(=O)O)cc(Br)c21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2[nH]ccc2c1.COC(=O)c1cc(Br)c2c(ccn2C(C)C)c1.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The InChIKey is AEFUVRXWJJTNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2.C19H16BrClF2N2O2.C13H14BrNO2.C12H12BrNO2.C10H8BrNO2.C9H15BN2O2.C7H6ClF2NO.C3H7I.Li.H3N2O.Na.H/c1-13(2)29-10-8-14-11-15(12-18(20(14)29)19-7-9-26-28-19)21(30)27-16-3-5-17(6-4-16)31-22(23,24)25;1-11(2)25-8-7-12-9-13(10-16(20)17(12)25)18(26)24-14-3-5-15(6-4-14)27-19(21,22)23;1-8(2)15-5-4-9-6-10(13(16)17-3)7-11(14)12(9)15;1-7(2)14-4-3-8-5-9(12(15)16)6-10(13)11(8)14;1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;1-3(2)4;;1-2-3;;/h3-13H,1-2H3,(H,26,28)(H,27,30);3-11H,1-2H3,(H,24,26);4-8H,1-3H3;3-7H,1-2H3,(H,15,16);2-5,12H,1H3;5-6H,1-4H3,(H,11,12);1-4H,11H2;3H,1-2H3;;3H,1H2;;/q;;;;;;;;+1;-1;+1;-1.
What are the key properties of lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2370.55 g/mol, XLogP of 21.33, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;amino(hydroxy)azanide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylindole-5-carboxamide;7-bromo-1-propan-2-ylindole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1H-pyrazol-5-yl)indole-5-carboxamide;hydride;2-iodopropane;methyl 7-bromo-1H-indole-5-carboxylate;methyl 7-bromo-1-propan-2-ylindole-5-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).