1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea

C144H133ClF3N43O10 — CID 159922458

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)no1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.COc1ccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c1.Cc1cc(C)c(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c(C)c1.O=C(Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H22N6O.2C21H20N6O.C20H14ClF3N6O.C20H21N7O2.2C20H18N6O2/c1-13-8-14(2)20(15(3)9-13)27-22(29)26-17-6-4-16(5-7-17)10-19-18-11-25-28-21(18)24-12-23-19;2*1-14(16-5-3-2-4-6-16)25-21(28)26-17-9-7-15(8-10-17)11-19-18-12-24-27-20(18)23-13-22-19;21-16-6-5-13(8-15(16)20(22,23)24)29-19(31)28-12-3-1-11(2-4-12)7-17-14-9-27-30-18(14)26-10-25-17;1-20(2,3)16-9-17(27-29-16)25-19(28)24-13-6-4-12(5-7-13)8-15-14-10-23-26-18(14)22-11-21-15;1-28-16-8-6-15(7-9-16)25-20(27)24-14-4-2-13(3-5-14)10-18-17-11-23-26-19(17)22-12-21-18;1-28-16-4-2-3-15(10-16)25-20(27)24-14-7-5-13(6-8-14)9-18-17-11-23-26-19(17)22-12-21-18/h4-9,11-12H,10H2,1-3H3,(H2,26,27,29)(H,23,24,25,28);2*2-10,12-14H,11H2,1H3,(H2,25,26,28)(H,22,23,24,27);1-6,8-10H,7H2,(H2,28,29,31)(H,25,26,27,30);4-7,9-11H,8H2,1-3H3,(H,21,22,23,26)(H2,24,25,27,28);2-9,11-12H,10H2,1H3,(H2,24,25,27)(H,21,22,23,26);2-8,10-12H,9H2,1H3,(H2,24,25,27)(H,21,22,23,26)
InChIKeyNYORRQLHNJKANJ-UHFFFAOYSA-N
MW2718.39 g/mol
LogP28.49
Rot. Bonds32

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 159922458) has the molecular formula C144H133ClF3N43O10 and a molecular weight of 2718.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID159922458
Molecular FormulaC144H133ClF3N43O10
Molecular Weight2718.39 g/mol
Exact Mass2716.09
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)no1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.COc1ccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c1.Cc1cc(C)c(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c(C)c1.O=C(Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H22N6O.2C21H20N6O.C20H14ClF3N6O.C20H21N7O2.2C20H18N6O2/c1-13-8-14(2)20(15(3)9-13)27-22(29)26-17-6-4-16(5-7-17)10-19-18-11-25-28-21(18)24-12-23-19;2*1-14(16-5-3-2-4-6-16)25-21(28)26-17-9-7-15(8-10-17)11-19-18-12-24-27-20(18)23-13-22-19;21-16-6-5-13(8-15(16)20(22,23)24)29-19(31)28-12-3-1-11(2-4-12)7-17-14-9-27-30-18(14)26-10-25-17;1-20(2,3)16-9-17(27-29-16)25-19(28)24-13-6-4-12(5-7-13)8-15-14-10-23-26-18(14)22-11-21-15;1-28-16-8-6-15(7-9-16)25-20(27)24-14-4-2-13(3-5-14)10-18-17-11-23-26-19(17)22-12-21-18;1-28-16-4-2-3-15(10-16)25-20(27)24-14-7-5-13(6-8-14)9-18-17-11-23-26-19(17)22-12-21-18/h4-9,11-12H,10H2,1-3H3,(H2,26,27,29)(H,23,24,25,28);2*2-10,12-14H,11H2,1H3,(H2,25,26,28)(H,22,23,24,27);1-6,8-10H,7H2,(H2,28,29,31)(H,25,26,27,30);4-7,9-11H,8H2,1-3H3,(H,21,22,23,26)(H2,24,25,27,28);2-9,11-12H,10H2,1H3,(H2,24,25,27)(H,21,22,23,26);2-8,10-12H,9H2,1H3,(H2,24,25,27)(H,21,22,23,26)
InChIKeyNYORRQLHNJKANJ-UHFFFAOYSA-N
XLogP28.49
TPSA713.62 Ų
H-Bond Donors21
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.39
LogP ≤ 528.49
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1032

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea with MolForge

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methoxy-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157694351
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159463405
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[3-chloro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3,5-difluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-nitro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea;1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 161829719

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea (CID 159922458) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)no1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.CC(NC(=O)Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)c1ccccc1.COc1ccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c1.Cc1cc(C)c(NC(=O)Nc2ccc(Cc3ncnc4[nH]ncc34)cc2)c(C)c1.O=C(Nc1ccc(Cc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is NYORRQLHNJKANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.2C21H20N6O.C20H14ClF3N6O.C20H21N7O2.2C20H18N6O2/c1-13-8-14(2)20(15(3)9-13)27-22(29)26-17-6-4-16(5-7-17)10-19-18-11-25-28-21(18)24-12-23-19;2*1-14(16-5-3-2-4-6-16)25-21(28)26-17-9-7-15(8-10-17)11-19-18-12-24-27-20(18)23-13-22-19;21-16-6-5-13(8-15(16)20(22,23)24)29-19(31)28-12-3-1-11(2-4-12)7-17-14-9-27-30-18(14)26-10-25-17;1-20(2,3)16-9-17(27-29-16)25-19(28)24-13-6-4-12(5-7-13)8-15-14-10-23-26-18(14)22-11-21-15;1-28-16-8-6-15(7-9-16)25-20(27)24-14-4-2-13(3-5-14)10-18-17-11-23-26-19(17)22-12-21-18;1-28-16-4-2-3-15(10-16)25-20(27)24-14-7-5-13(6-8-14)9-18-17-11-23-26-19(17)22-12-21-18/h4-9,11-12H,10H2,1-3H3,(H2,26,27,29)(H,23,24,25,28);2*2-10,12-14H,11H2,1H3,(H2,25,26,28)(H,22,23,24,27);1-6,8-10H,7H2,(H2,28,29,31)(H,25,26,27,30);4-7,9-11H,8H2,1-3H3,(H,21,22,23,26)(H2,24,25,27,28);2-9,11-12H,10H2,1H3,(H2,24,25,27)(H,21,22,23,26);2-8,10-12H,9H2,1H3,(H2,24,25,27)(H,21,22,23,26).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 2718.39 g/mol, XLogP of 28.49, 32 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 159922458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).