3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C103H137F2N21O13S4 — CID 161210929

IUPAC3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCS(=O)(=O)N1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C(=O)CCN2CCC2)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(C)(F)F)CC1
InChIInChI=1S/C36H48N8O4S.C35H46F2N6O4S.C32H43N7O5S2/c1-22(2)48-30-21-27(26-12-18-44(19-13-26)32(45)14-17-43-15-9-16-43)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4;1-20(2)47-28-17-25(24-12-14-43(15-13-24)19-30(44)35(7,36)37)22(5)16-27(28)40-34-41-32-31(23(6)18-38-32)33(42-34)39-26-10-8-9-11-29(26)48(45,46)21(3)4;1-8-45(40,41)39-15-13-23(14-16-39)24-18-27(44-19(2)3)26(17-21(24)6)34-32-35-30(29-22(7)37-38-31(29)36-32)33-25-11-9-10-12-28(25)46(42,43)20(4)5/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42);8-11,16-18,20-21,24,30,44H,12-15,19H2,1-7H3,(H3,38,39,40,41,42);9-12,17-20,23H,8,13-16H2,1-7H3,(H3,33,34,35,36,37,38)/t;30-;/m.1./s1
InChIKeyUWFKLOVLODSZMY-CDQYQXCPSA-N
MW2043.63 g/mol
LogP19.41
Rot. Bonds35

About 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 161210929) has the molecular formula C103H137F2N21O13S4 and a molecular weight of 2043.63 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID161210929
Molecular FormulaC103H137F2N21O13S4
Molecular Weight2043.63 g/mol
Exact Mass2041.96
IUPAC Name3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCS(=O)(=O)N1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C(=O)CCN2CCC2)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(C)(F)F)CC1
InChIInChI=1S/C36H48N8O4S.C35H46F2N6O4S.C32H43N7O5S2/c1-22(2)48-30-21-27(26-12-18-44(19-13-26)32(45)14-17-43-15-9-16-43)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4;1-20(2)47-28-17-25(24-12-14-43(15-13-24)19-30(44)35(7,36)37)22(5)16-27(28)40-34-41-32-31(23(6)18-38-32)33(42-34)39-26-10-8-9-11-29(26)48(45,46)21(3)4;1-8-45(40,41)39-15-13-23(14-16-39)24-18-27(44-19(2)3)26(17-21(24)6)34-32-35-30(29-22(7)37-38-31(29)36-32)33-25-11-9-10-12-28(25)46(42,43)20(4)5/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42);8-11,16-18,20-21,24,30,44H,12-15,19H2,1-7H3,(H3,38,39,40,41,42);9-12,17-20,23H,8,13-16H2,1-7H3,(H3,33,34,35,36,37,38)/t;30-;/m.1./s1
InChIKeyUWFKLOVLODSZMY-CDQYQXCPSA-N
XLogP19.41
TPSA437.18 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002043.63
LogP ≤ 519.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazol-1-yl-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]ethanone
CID 44467029
1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 44467031
[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 44467032
(2R)-1,1,1-trifluoro-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-2-ol
CID 44467110
(2S)-1,1,1-trifluoro-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-2-ol
CID 44467111
3-(dimethylamino)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one
CID 44467181
3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one
CID 44467253
3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propanamide
CID 44467255
N,N-dimethyl-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propanamide
CID 44467256
N-methyl-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propanamide
CID 44467329
(2R)-1,1,1-trifluoro-3-[4-[2-methyl-5-propan-2-yloxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 44467754
1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 44468103

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 161210929) is 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is CCS(=O)(=O)N1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C(=O)CCN2CCC2)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(C)(F)F)CC1.
What is the InChIKey of 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is UWFKLOVLODSZMY-CDQYQXCPSA-N. The full InChI is InChI=1S/C36H48N8O4S.C35H46F2N6O4S.C32H43N7O5S2/c1-22(2)48-30-21-27(26-12-18-44(19-13-26)32(45)14-17-43-15-9-16-43)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4;1-20(2)47-28-17-25(24-12-14-43(15-13-24)19-30(44)35(7,36)37)22(5)16-27(28)40-34-41-32-31(23(6)18-38-32)33(42-34)39-26-10-8-9-11-29(26)48(45,46)21(3)4;1-8-45(40,41)39-15-13-23(14-16-39)24-18-27(44-19(2)3)26(17-21(24)6)34-32-35-30(29-22(7)37-38-31(29)36-32)33-25-11-9-10-12-28(25)46(42,43)20(4)5/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42);8-11,16-18,20-21,24,30,44H,12-15,19H2,1-7H3,(H3,38,39,40,41,42);9-12,17-20,23H,8,13-16H2,1-7H3,(H3,33,34,35,36,37,38)/t;30-;/m.1./s1.
What are the key properties of 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 2043.63 g/mol, XLogP of 19.41, 35 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 161210929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).