tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid

C90H104BClN20O10 — CID 161039106

IUPACtert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid
SMILESCC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cncnc3)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncnc3)nc12.OB(O)c1cncnc1
InChIInChI=1S/C33H39N7O4.C29H36ClN5O4.C24H24N6.C4H5BN2O2/c1-21(2)25-18-36-40-28(15-26(37-29(25)40)23-16-34-20-35-17-23)38(30(41)43-32(3,4)5)14-13-22-19-39(31(42)44-33(6,7)8)27-12-10-9-11-24(22)27;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-16(2)21-14-28-30-23(11-22(29-24(21)30)19-12-25-15-26-13-19)27-10-9-18-8-7-17-5-3-4-6-20(17)18;8-5(9)4-1-6-3-7-2-4/h9-12,15-21H,13-14H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-16,27H,7,9-10H2,1-2H3;1-3,8-9H
InChIKeyUAQLXUJMYKFHIF-UHFFFAOYSA-N
MW1672.22 g/mol
LogP17.17
Rot. Bonds18

About tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid

tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid (PubChem CID 161039106) has the molecular formula C90H104BClN20O10 and a molecular weight of 1672.22 g/mol. Its IUPAC name is tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid.

Molecular Properties

Compound Nametert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid
PubChem CID161039106
Molecular FormulaC90H104BClN20O10
Molecular Weight1672.22 g/mol
Exact Mass1670.80
IUPAC Nametert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid
SMILESCC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cncnc3)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncnc3)nc12.OB(O)c1cncnc1
InChIInChI=1S/C33H39N7O4.C29H36ClN5O4.C24H24N6.C4H5BN2O2/c1-21(2)25-18-36-40-28(15-26(37-29(25)40)23-16-34-20-35-17-23)38(30(41)43-32(3,4)5)14-13-22-19-39(31(42)44-33(6,7)8)27-12-10-9-11-24(22)27;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-16(2)21-14-28-30-23(11-22(29-24(21)30)19-12-25-15-26-13-19)27-10-9-18-8-7-17-5-3-4-6-20(17)18;8-5(9)4-1-6-3-7-2-4/h9-12,15-21H,13-14H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-16,27H,7,9-10H2,1-2H3;1-3,8-9H
InChIKeyUAQLXUJMYKFHIF-UHFFFAOYSA-N
XLogP17.17
TPSA341.94 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.22
LogP ≤ 517.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid with MolForge

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Related Compounds

tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(4-methylanilino)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-N-(4-methylphenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-2,4-diamine;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;2,2,2-trifluoroacetaldehyde
CID 157919201
Tert-butyl 4-[4-[1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 160026379
tert-butyl N-[2-chloro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]carbamate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 160898046
tert-butyl N-[2-chloro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]carbamate;methane;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 161934660
1-(4-aminobutyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;tert-butyl N-[4-[4-amino-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]butyl]carbamate;tert-butyl N-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)butyl]carbamate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;2,2,2-trifluoroacetic acid
CID 161992104
1-(4-aminobutyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;tert-butyl N-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)butyl]carbamate;tert-butyl N-[4-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]butyl]carbamate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;2,2,2-trifluoroacetic acid
CID 162234139
tert-butyl 2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 157105807
tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
CID 157129731
tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 157144373
tert-butyl 7-[3-[3-(dimethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-[3-(7-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]-1,1-dimethylurea;1,1-dimethyl-3-[3-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;1,1-dimethyl-3-[3-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;ethane
CID 157291982
tert-butyl 2-[[6-[4-[3-(1-tert-butylpyrazol-4-yl)-3-oxopropyl]-3-methylphenyl]pyrimidin-4-yl]amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-(1-tert-butylpyrazol-4-yl)-3-[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]propan-1-one;1-(1-tert-butylpyrazol-4-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyrimidin-4-yl]phenyl]propan-1-one
CID 157318967
tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[[5-(2-methoxyphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-5-(2-methoxyphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2-methoxyphenyl)boronic acid
CID 157427658

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid?
The IUPAC name of tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid (CID 161039106) is tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid.
What is the SMILES notation for tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid?
The canonical SMILES for tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid is CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cncnc3)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncnc3)nc12.OB(O)c1cncnc1.
What is the InChIKey of tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid?
The InChIKey is UAQLXUJMYKFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O4.C29H36ClN5O4.C24H24N6.C4H5BN2O2/c1-21(2)25-18-36-40-28(15-26(37-29(25)40)23-16-34-20-35-17-23)38(30(41)43-32(3,4)5)14-13-22-19-39(31(42)44-33(6,7)8)27-12-10-9-11-24(22)27;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-16(2)21-14-28-30-23(11-22(29-24(21)30)19-12-25-15-26-13-19)27-10-9-18-8-7-17-5-3-4-6-20(17)18;8-5(9)4-1-6-3-7-2-4/h9-12,15-21H,13-14H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-16,27H,7,9-10H2,1-2H3;1-3,8-9H.
What are the key properties of tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid?
tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid has a molecular weight of 1672.22 g/mol, XLogP of 17.17, 18 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 161039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).