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

C96H107BClF3N14O10 — CID 159818553

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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cccc(F)c3)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(-c3cccc(F)c3)nc12.OB(O)c1cccc(F)c1
InChIInChI=1S/C35H40FN5O4.C29H36ClN5O4.C26H25FN4.C6H6BFO2/c1-22(2)27-20-37-41-30(19-28(38-31(27)41)23-12-11-13-25(36)18-23)39(32(42)44-34(3,4)5)17-16-24-21-40(33(43)45-35(6,7)8)29-15-10-9-14-26(24)29;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;1-17(2)23-16-29-31-25(15-24(30-26(23)31)20-7-5-8-21(27)14-20)28-13-12-19-11-10-18-6-3-4-9-22(18)19;8-6-3-1-2-5(4-6)7(9)10/h9-15,18-22H,16-17H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-9,11,14-17,28H,10,12-13H2,1-2H3;1-4,9-10H
InChIKeyNLXYNYUPVIFFOD-UHFFFAOYSA-N
MW1720.26 g/mol
LogP21.22
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

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-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159818553) has the molecular formula C96H107BClF3N14O10 and a molecular weight of 1720.26 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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159818553
Molecular FormulaC96H107BClF3N14O10
Molecular Weight1720.26 g/mol
Exact Mass1718.80
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cccc(F)c3)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(-c3cccc(F)c3)nc12.OB(O)c1cccc(F)c1
InChIInChI=1S/C35H40FN5O4.C29H36ClN5O4.C26H25FN4.C6H6BFO2/c1-22(2)27-20-37-41-30(19-28(38-31(27)41)23-12-11-13-25(36)18-23)39(32(42)44-34(3,4)5)17-16-24-21-40(33(43)45-35(6,7)8)29-15-10-9-14-26(24)29;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;1-17(2)23-16-29-31-25(15-24(30-26(23)31)20-7-5-8-21(27)14-20)28-13-12-19-11-10-18-6-3-4-9-22(18)19;8-6-3-1-2-5(4-6)7(9)10/h9-15,18-22H,16-17H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-9,11,14-17,28H,10,12-13H2,1-2H3;1-4,9-10H
InChIKeyNLXYNYUPVIFFOD-UHFFFAOYSA-N
XLogP21.22
TPSA264.60 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.26
LogP ≤ 521.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine 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 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
tert-butyl 2-[2-(difluoromethyl)-5-fluorophenyl]-6-[methyl-(2-methyl-1,2,4-triazole-3-carbonyl)amino]pyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 2-[2-(difluoromethyl)-5-fluorophenyl]-6-[(2-methyl-1,2,4-triazole-3-carbonyl)amino]pyrrolo[3,2-c]pyridine-1-carboxylate;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide
CID 157059083
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 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
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfinyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl (3R)-3-[(2-piperidin-1-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-1,2,3,4-tetrahydrocarbazole-9-carboxylate;methane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;piperidine;2-piperidin-1-yl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 157427777
tert-butyl N-[5-(2-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-4-ylmethyl)carbamate;5-(2-fluorophenyl)-3-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157538804
tert-butyl 4-[3-[[6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]piperidine-1-carboxylate;N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-[6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 157604678
8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;tert-butyl (3R)-3-[[8-bromo-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,2,3,4-tetrahydrocarbazole-9-carboxylate;2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 157634944
5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-chloro-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;phenylboronic acid;hydrochloride
CID 157639130

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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159818553) 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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3cccc(F)c3)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(-c3cccc(F)c3)nc12.OB(O)c1cccc(F)c1.
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLXYNYUPVIFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40FN5O4.C29H36ClN5O4.C26H25FN4.C6H6BFO2/c1-22(2)27-20-37-41-30(19-28(38-31(27)41)23-12-11-13-25(36)18-23)39(32(42)44-34(3,4)5)17-16-24-21-40(33(43)45-35(6,7)8)29-15-10-9-14-26(24)29;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;1-17(2)23-16-29-31-25(15-24(30-26(23)31)20-7-5-8-21(27)14-20)28-13-12-19-11-10-18-6-3-4-9-22(18)19;8-6-3-1-2-5(4-6)7(9)10/h9-15,18-22H,16-17H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-9,11,14-17,28H,10,12-13H2,1-2H3;1-4,9-10H.
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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
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-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1720.26 g/mol, XLogP of 21.22, 18 rotatable bonds, 3 hydrogen bond donors, and 22 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-[[5-(3-fluorophenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;(3-fluorophenyl)boronic acid;5-(3-fluorophenyl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159818553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).