2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

C110H128N22O14S3 — CID 159541113

IUPAC2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Cc1nc2c(c(Nc3ccc(C(=O)NC(C)C)cc3)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccc(C(=O)NC(C)C)cc2)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
InChIInChI=1S/C30H35N5O3.C28H33N7O3.C27H32N6O4S.C25H28N4O4S2/c1-19(2)31-30(37)20-7-10-22(11-8-20)32-29-25-5-4-6-26(25)33-28(34-29)17-21-9-12-23(18-27(21)38-3)35-15-13-24(36)14-16-35;1-17(2)30-27(37)18-4-6-19(7-5-18)31-26-22-10-13-29-25(22)33-28(34-26)32-23-9-8-20(16-24(23)38-3)35-14-11-21(36)12-15-35;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-16(2)34(30,31)22-14-7-5-11-20(22)26-24-18-10-9-13-19(18)27-25(29-24)28-21-12-6-8-15-23(21)35(32,33)17(3)4/h4-5,7-12,18-19,24,36H,6,13-17H2,1-3H3,(H,31,37)(H,32,33,34);4-10,13,16-17,21,36H,11-12,14-15H2,1-3H3,(H,30,37)(H3,29,31,32,33,34);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);5-12,14-17H,13H2,1-4H3,(H2,26,27,28,29)
InChIKeyMEFKWFDAXHDXNA-UHFFFAOYSA-N
MW2078.57 g/mol
LogP18.54
Rot. Bonds32

About 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol

2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (PubChem CID 159541113) has the molecular formula C110H128N22O14S3 and a molecular weight of 2078.57 g/mol. Its IUPAC name is 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
PubChem CID159541113
Molecular FormulaC110H128N22O14S3
Molecular Weight2078.57 g/mol
Exact Mass2076.91
IUPAC Name2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Cc1nc2c(c(Nc3ccc(C(=O)NC(C)C)cc3)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccc(C(=O)NC(C)C)cc2)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
InChIInChI=1S/C30H35N5O3.C28H33N7O3.C27H32N6O4S.C25H28N4O4S2/c1-19(2)31-30(37)20-7-10-22(11-8-20)32-29-25-5-4-6-26(25)33-28(34-29)17-21-9-12-23(18-27(21)38-3)35-15-13-24(36)14-16-35;1-17(2)30-27(37)18-4-6-19(7-5-18)31-26-22-10-13-29-25(22)33-28(34-26)32-23-9-8-20(16-24(23)38-3)35-14-11-21(36)12-15-35;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-16(2)34(30,31)22-14-7-5-11-20(22)26-24-18-10-9-13-19(18)27-25(29-24)28-21-12-6-8-15-23(21)35(32,33)17(3)4/h4-5,7-12,18-19,24,36H,6,13-17H2,1-3H3,(H,31,37)(H,32,33,34);4-10,13,16-17,21,36H,11-12,14-15H2,1-3H3,(H,30,37)(H3,29,31,32,33,34);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);5-12,14-17H,13H2,1-4H3,(H2,26,27,28,29)
InChIKeyMEFKWFDAXHDXNA-UHFFFAOYSA-N
XLogP18.54
TPSA477.63 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.57
LogP ≤ 518.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol with MolForge

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Related Compounds

[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 25226854
3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157147659
5-bromo-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;5-chloro-4-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4lambda5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 157180704
4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide
CID 158224059
N-(2-hydroxyethyl)-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 159088737
2-N-[2-(1,3-difluoropropan-2-yloxy)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-N-(2-methylsulfonylphenyl)-7H-purine-2,6-diamine;2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-6-N-(2-methylsulfonylphenyl)-7H-purine-2,6-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-N-(2-methylsulfonylphenyl)-7H-purine-2,6-diamine;[3-methoxy-4-[[6-(2-methylsulfonylanilino)-7H-purin-2-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;1-[4-[[6-(2-methylsulfonylanilino)-7H-purin-2-yl]amino]-3-propan-2-yloxyphenyl]piperidin-4-ol
CID 159104018
5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4lambda5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-[[2-(4-dimethylphosphoryl-2-methoxyanilino)-7H-cyclopenta[d]pyrimidin-4-yl]methyl]-N-methylbenzamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 159265955
N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen
CID 159452763
2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-[[6-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 159623202
2-[[2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-[4-(hydroxymethyl)piperidin-1-yl]-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypyrrolidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(4-imidazol-1-yl-2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-2-[[2-[4-(pyrrolidine-1-carbonyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 159839437
CID 159849997
CID 159849997
3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-methylbenzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(oxan-4-yl)benzamide;[3-methoxy-4-[[6-(2-propan-2-ylsulfonylanilino)-7H-purin-2-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;2-N-[5-methyl-4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]-6-N-(2-propan-2-ylsulfonylphenyl)-7H-purine-2,6-diamine;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[3-propan-2-yloxy-4-[[6-(2-propan-2-ylsulfonylanilino)-7H-purin-2-yl]amino]phenyl]methanone
CID 160786512

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?
The IUPAC name of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol (CID 159541113) is 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol.
What is the SMILES notation for 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?
The canonical SMILES for 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol is CC(C)S(=O)(=O)c1ccccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Cc1nc2c(c(Nc3ccc(C(=O)NC(C)C)cc3)n1)C=CC2.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccc(C(=O)NC(C)C)cc2)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.
What is the InChIKey of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?
The InChIKey is MEFKWFDAXHDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3.C28H33N7O3.C27H32N6O4S.C25H28N4O4S2/c1-19(2)31-30(37)20-7-10-22(11-8-20)32-29-25-5-4-6-26(25)33-28(34-29)17-21-9-12-23(18-27(21)38-3)35-15-13-24(36)14-16-35;1-17(2)30-27(37)18-4-6-19(7-5-18)31-26-22-10-13-29-25(22)33-28(34-26)32-23-9-8-20(16-24(23)38-3)35-14-11-21(36)12-15-35;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-16(2)34(30,31)22-14-7-5-11-20(22)26-24-18-10-9-13-19(18)27-25(29-24)28-21-12-6-8-15-23(21)35(32,33)17(3)4/h4-5,7-12,18-19,24,36H,6,13-17H2,1-3H3,(H,31,37)(H,32,33,34);4-10,13,16-17,21,36H,11-12,14-15H2,1-3H3,(H,30,37)(H3,29,31,32,33,34);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);5-12,14-17H,13H2,1-4H3,(H2,26,27,28,29).
What are the key properties of 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol?
2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol has a molecular weight of 2078.57 g/mol, XLogP of 18.54, 32 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-propan-2-ylsulfonylphenyl)-7H-cyclopenta[d]pyrimidine-2,4-diamine;4-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;4-[[2-[[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol is sourced from PubChem (CID 159541113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).