4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C125H104F9N35O12 — CID 159001220

IUPAC4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CCCc1ccnc(NC(=O)c2ccc(-n3c(=O)n(-c4cccc(N(C)C(=O)C#CCN(C)C5CC5)c4)c4ncnc(N)c43)cc2)c1.CN(C)CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CN(CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1)C1CC1
InChIInChI=1S/C35H35N9O3.C32H26F3N9O3.C30H24F3N9O3.C28H19F3N8O3/c1-4-7-23-17-18-37-29(20-23)40-34(46)24-11-13-26(14-12-24)43-31-32(36)38-22-39-33(31)44(35(43)47)28-9-5-8-27(21-28)42(3)30(45)10-6-19-41(2)25-15-16-25;1-42(22-11-12-22)15-3-6-26(45)40-21-4-2-5-24(17-21)44-29-27(28(36)38-18-39-29)43(31(44)47)23-9-7-19(8-10-23)30(46)41-25-16-20(13-14-37-25)32(33,34)35;1-40(2)14-4-7-24(43)38-20-5-3-6-22(16-20)42-27-25(26(34)36-17-37-27)41(29(42)45)21-10-8-18(9-11-21)28(44)39-23-15-19(12-13-35-23)30(31,32)33;1-2-4-22(40)36-18-5-3-6-20(14-18)39-25-23(24(32)34-15-35-25)38(27(39)42)19-9-7-16(8-10-19)26(41)37-21-13-17(11-12-33-21)28(29,30)31/h5,8-9,11-14,17-18,20-22,25H,4,7,15-16,19H2,1-3H3,(H2,36,38,39)(H,37,40,46);2,4-5,7-10,13-14,16-18,22H,11-12,15H2,1H3,(H,40,45)(H2,36,38,39)(H,37,41,46);3,5-6,8-13,15-17H,14H2,1-2H3,(H,38,43)(H2,34,36,37)(H,35,39,44);3,5-15H,1H3,(H,36,40)(H2,32,34,35)(H,33,37,41)
InChIKeyJRIWCJFNCTUOTK-UHFFFAOYSA-N
MW2459.42 g/mol
LogP14.77
Rot. Bonds27

About 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 159001220) has the molecular formula C125H104F9N35O12 and a molecular weight of 2459.42 g/mol. Its IUPAC name is 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID159001220
Molecular FormulaC125H104F9N35O12
Molecular Weight2459.42 g/mol
Exact Mass2457.85
IUPAC Name4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CCCc1ccnc(NC(=O)c2ccc(-n3c(=O)n(-c4cccc(N(C)C(=O)C#CCN(C)C5CC5)c4)c4ncnc(N)c43)cc2)c1.CN(C)CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CN(CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1)C1CC1
InChIInChI=1S/C35H35N9O3.C32H26F3N9O3.C30H24F3N9O3.C28H19F3N8O3/c1-4-7-23-17-18-37-29(20-23)40-34(46)24-11-13-26(14-12-24)43-31-32(36)38-22-39-33(31)44(35(43)47)28-9-5-8-27(21-28)42(3)30(45)10-6-19-41(2)25-15-16-25;1-42(22-11-12-22)15-3-6-26(45)40-21-4-2-5-24(17-21)44-29-27(28(36)38-18-39-29)43(31(44)47)23-9-7-19(8-10-23)30(46)41-25-16-20(13-14-37-25)32(33,34)35;1-40(2)14-4-7-24(43)38-20-5-3-6-22(16-20)42-27-25(26(34)36-17-37-27)41(29(42)45)21-10-8-18(9-11-21)28(44)39-23-15-19(12-13-35-23)30(31,32)33;1-2-4-22(40)36-18-5-3-6-20(14-18)39-25-23(24(32)34-15-35-25)38(27(39)42)19-9-7-16(8-10-19)26(41)37-21-13-17(11-12-33-21)28(29,30)31/h5,8-9,11-14,17-18,20-22,25H,4,7,15-16,19H2,1-3H3,(H2,36,38,39)(H,37,40,46);2,4-5,7-10,13-14,16-18,22H,11-12,15H2,1H3,(H,40,45)(H2,36,38,39)(H,37,41,46);3,5-6,8-13,15-17H,14H2,1-2H3,(H,38,43)(H2,34,36,37)(H,35,39,44);3,5-15H,1H3,(H,36,40)(H2,32,34,35)(H,33,37,41)
InChIKeyJRIWCJFNCTUOTK-UHFFFAOYSA-N
XLogP14.77
TPSA600.21 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002459.42
LogP ≤ 514.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

(E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut-2-enamido)phenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 86764302
4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 117807090
4-[6-amino-9-[3-[but-2-ynoyl(methyl)amino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 117807091
4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 117807092
4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 121403085
4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 121403086
4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 121403106
4-[6-amino-9-[3-[4-(dimethylamino)but-2-enoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123259567
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
4-[6-amino-9-[3-[(8-cyclopropyl-6-methyloct-2-ynoyl)-methylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123876980
4-[6-amino-9-[3-[(7-cyclopropyl-5-methylhept-2-ynoyl)amino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 124019922
4-[6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-8-oxopurin-7-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
CID 135312028

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 159001220) is 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CCCc1ccnc(NC(=O)c2ccc(-n3c(=O)n(-c4cccc(N(C)C(=O)C#CCN(C)C5CC5)c4)c4ncnc(N)c43)cc2)c1.CN(C)CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1.CN(CC#CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)c1)C1CC1.
What is the InChIKey of 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is JRIWCJFNCTUOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N9O3.C32H26F3N9O3.C30H24F3N9O3.C28H19F3N8O3/c1-4-7-23-17-18-37-29(20-23)40-34(46)24-11-13-26(14-12-24)43-31-32(36)38-22-39-33(31)44(35(43)47)28-9-5-8-27(21-28)42(3)30(45)10-6-19-41(2)25-15-16-25;1-42(22-11-12-22)15-3-6-26(45)40-21-4-2-5-24(17-21)44-29-27(28(36)38-18-39-29)43(31(44)47)23-9-7-19(8-10-23)30(46)41-25-16-20(13-14-37-25)32(33,34)35;1-40(2)14-4-7-24(43)38-20-5-3-6-22(16-20)42-27-25(26(34)36-17-37-27)41(29(42)45)21-10-8-18(9-11-21)28(44)39-23-15-19(12-13-35-23)30(31,32)33;1-2-4-22(40)36-18-5-3-6-20(14-18)39-25-23(24(32)34-15-35-25)38(27(39)42)19-9-7-16(8-10-19)26(41)37-21-13-17(11-12-33-21)28(29,30)31/h5,8-9,11-14,17-18,20-22,25H,4,7,15-16,19H2,1-3H3,(H2,36,38,39)(H,37,40,46);2,4-5,7-10,13-14,16-18,22H,11-12,15H2,1H3,(H,40,45)(H2,36,38,39)(H,37,41,46);3,5-6,8-13,15-17H,14H2,1-2H3,(H,38,43)(H2,34,36,37)(H,35,39,44);3,5-15H,1H3,(H,36,40)(H2,32,34,35)(H,33,37,41).
What are the key properties of 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 2459.42 g/mol, XLogP of 14.77, 27 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-9-[3-(but-2-ynoylamino)phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[6-amino-9-[3-[4-[cyclopropyl(methyl)amino]but-2-ynoyl-methylamino]phenyl]-8-oxopurin-7-yl]-N-(4-propyl-2-pyridinyl)benzamide;4-[6-amino-9-[3-[4-(dimethylamino)but-2-ynoylamino]phenyl]-8-oxopurin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159001220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).