aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C130H177B3BrClF3N21O26S — CID 158641378

IUPACaniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)C(F)(F)F)C1.CC(C)(C)OC(=O)N1CCCC(c2cccc(NC(=O)Nc3ccccc3)n2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cccc(Br)n1.COC(=O)c1cccc(C2=CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.Nc1ccccc1.O=C(Nc1ccccc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1
InChIInChI=1S/C23H23N7O.C22H28N4O3.C17H22N2O4.C16H28BNO4.C12H24B2O4.C11H18F3NO5S.C10H17NO3.C7H6BrNO2.C6H4ClN3.C6H7N/c31-23(27-17-7-2-1-3-8-17)29-20-10-4-9-19(28-20)16-6-5-13-30(14-16)22-18-11-12-24-21(18)25-15-26-22;1-22(2,3)29-21(28)26-14-8-9-16(15-26)18-12-7-13-19(24-18)25-20(27)23-17-10-5-4-6-11-17;1-17(2,3)23-16(21)19-10-6-7-12(11-19)13-8-5-9-14(18-13)15(20)22-4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)19-9(16)15-6-4-5-8(7-15)20-21(17,18)11(12,13)14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-11-7(10)5-3-2-4-6(8)9-5;7-5-4-1-2-8-6(4)10-3-9-5;7-6-4-2-1-3-5-6/h1-4,7-12,15-16H,5-6,13-14H2,(H,24,25,26)(H2,27,28,29,31);4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,23,24,25,27);5,7-9H,6,10-11H2,1-4H3;9H,8,10-11H2,1-7H3;1-8H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;2-4H,1H3;1-3H,(H,8,9,10);1-5H,7H2
InChIKeyIAKTVUHNWSDPRH-UHFFFAOYSA-N
MW2686.82 g/mol
LogP25.90
Rot. Bonds14

About aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158641378) has the molecular formula C130H177B3BrClF3N21O26S and a molecular weight of 2686.82 g/mol. Its IUPAC name is aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameaniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158641378
Molecular FormulaC130H177B3BrClF3N21O26S
Molecular Weight2686.82 g/mol
Exact Mass2684.20
IUPAC Nameaniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)C(F)(F)F)C1.CC(C)(C)OC(=O)N1CCCC(c2cccc(NC(=O)Nc3ccccc3)n2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cccc(Br)n1.COC(=O)c1cccc(C2=CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.Nc1ccccc1.O=C(Nc1ccccc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1
InChIInChI=1S/C23H23N7O.C22H28N4O3.C17H22N2O4.C16H28BNO4.C12H24B2O4.C11H18F3NO5S.C10H17NO3.C7H6BrNO2.C6H4ClN3.C6H7N/c31-23(27-17-7-2-1-3-8-17)29-20-10-4-9-19(28-20)16-6-5-13-30(14-16)22-18-11-12-24-21(18)25-15-26-22;1-22(2,3)29-21(28)26-14-8-9-16(15-26)18-12-7-13-19(24-18)25-20(27)23-17-10-5-4-6-11-17;1-17(2,3)23-16(21)19-10-6-7-12(11-19)13-8-5-9-14(18-13)15(20)22-4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)19-9(16)15-6-4-5-8(7-15)20-21(17,18)11(12,13)14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-11-7(10)5-3-2-4-6(8)9-5;7-5-4-1-2-8-6(4)10-3-9-5;7-6-4-2-1-3-5-6/h1-4,7-12,15-16H,5-6,13-14H2,(H,24,25,26)(H2,27,28,29,31);4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,23,24,25,27);5,7-9H,6,10-11H2,1-4H3;9H,8,10-11H2,1-7H3;1-8H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;2-4H,1H3;1-3H,(H,8,9,10);1-5H,7H2
InChIKeyIAKTVUHNWSDPRH-UHFFFAOYSA-N
XLogP25.90
TPSA562.34 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.82
LogP ≤ 525.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Launch Full Analysis

Related Compounds

CID 157083154
CID 157083154
CID 158421554
CID 158421554
Tert-butyl 4-aminopiperidine-1-carboxylate;[2-(dimethylamino)-4-pyridinyl]boronic acid;ethyl 1-bromo-5-chloro-6-methylindolizine-7-carboxylate;ethyl 5-chloro-1-[2-(dimethylamino)-4-pyridinyl]-6-methylindolizine-7-carboxylate;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]indolizine-7-carboxylate;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]indolizine-7-carboxylate;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-(piperidin-4-ylmethyl)indolizine-7-carboxylate;ethyl trifluoromethanesulfonate
CID 158750398
CID 159160765
CID 159160765
aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bis(trifluoromethanesulfinate)
CID 159467033
aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bis(trifluoromethanesulfinate)
CID 160755410
CID 161081355
CID 161081355

Frequently Asked Questions

What is the IUPAC name of aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158641378) is aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)C(F)(F)F)C1.CC(C)(C)OC(=O)N1CCCC(c2cccc(NC(=O)Nc3ccccc3)n2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cccc(Br)n1.COC(=O)c1cccc(C2=CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.Nc1ccccc1.O=C(Nc1ccccc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1.
What is the InChIKey of aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is IAKTVUHNWSDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O.C22H28N4O3.C17H22N2O4.C16H28BNO4.C12H24B2O4.C11H18F3NO5S.C10H17NO3.C7H6BrNO2.C6H4ClN3.C6H7N/c31-23(27-17-7-2-1-3-8-17)29-20-10-4-9-19(28-20)16-6-5-13-30(14-16)22-18-11-12-24-21(18)25-15-26-22;1-22(2,3)29-21(28)26-14-8-9-16(15-26)18-12-7-13-19(24-18)25-20(27)23-17-10-5-4-6-11-17;1-17(2,3)23-16(21)19-10-6-7-12(11-19)13-8-5-9-14(18-13)15(20)22-4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)19-9(16)15-6-4-5-8(7-15)20-21(17,18)11(12,13)14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-11-7(10)5-3-2-4-6(8)9-5;7-5-4-1-2-8-6(4)10-3-9-5;7-6-4-2-1-3-5-6/h1-4,7-12,15-16H,5-6,13-14H2,(H,24,25,26)(H2,27,28,29,31);4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,23,24,25,27);5,7-9H,6,10-11H2,1-4H3;9H,8,10-11H2,1-7H3;1-8H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;2-4H,1H3;1-3H,(H,8,9,10);1-5H,7H2.
What are the key properties of aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2686.82 g/mol, XLogP of 25.90, 14 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).