3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine

C144H176F12N32O5 — CID 161438632

IUPAC3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCCC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H47F3N8O.C37H45F3N8O.C36H43F3N8O2.C34H41F3N8O/c1-24-14-28(16-30(15-24)37(38,39)40)22-47(35-41-18-31(19-42-35)45-10-12-49-13-11-45)23-29-17-32-25(2)44-48(36(3,4)5)34(32)43-33(29)46(20-26-6-7-26)21-27-8-9-27;1-23-13-27(15-29(14-23)37(38,39)40)21-46(35-41-17-30(18-42-35)47-12-6-7-32(47)49)22-28-16-31-24(2)44-48(36(3,4)5)34(31)43-33(28)45(19-25-8-9-25)20-26-10-11-26;1-22-12-26(14-28(13-22)36(37,38)39)20-45(33-40-16-29(17-41-33)46-10-11-49-34(46)48)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)44(18-24-6-7-24)19-25-8-9-25;1-22-12-26(14-28(13-22)34(35,36)37)20-45(33-38-16-29(17-39-33)43-8-10-46-11-9-43)21-27-15-30-23(2)41-42(3)32(30)40-31(27)44(18-24-4-5-24)19-25-6-7-25/h14-19,26-27H,6-13,20-23H2,1-5H3;13-18,25-26H,6-12,19-22H2,1-5H3;12-17,24-25H,6-11,18-21H2,1-5H3;12-17,24-25H,4-11,18-21H2,1-3H3
InChIKeyVYYZOSPWDFTYGS-UHFFFAOYSA-N
MW2663.19 g/mol
LogP28.32
Rot. Bonds44

About 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine

3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 161438632) has the molecular formula C144H176F12N32O5 and a molecular weight of 2663.19 g/mol. Its IUPAC name is 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
PubChem CID161438632
Molecular FormulaC144H176F12N32O5
Molecular Weight2663.19 g/mol
Exact Mass2661.43
IUPAC Name3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCCC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H47F3N8O.C37H45F3N8O.C36H43F3N8O2.C34H41F3N8O/c1-24-14-28(16-30(15-24)37(38,39)40)22-47(35-41-18-31(19-42-35)45-10-12-49-13-11-45)23-29-17-32-25(2)44-48(36(3,4)5)34(32)43-33(29)46(20-26-6-7-26)21-27-8-9-27;1-23-13-27(15-29(14-23)37(38,39)40)21-46(35-41-17-30(18-42-35)47-12-6-7-32(47)49)22-28-16-31-24(2)44-48(36(3,4)5)34(31)43-33(28)45(19-25-8-9-25)20-26-10-11-26;1-22-12-26(14-28(13-22)36(37,38)39)20-45(33-40-16-29(17-41-33)46-10-11-49-34(46)48)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)44(18-24-6-7-24)19-25-8-9-25;1-22-12-26(14-28(13-22)34(35,36)37)20-45(33-38-16-29(17-39-33)43-8-10-46-11-9-43)21-27-15-30-23(2)41-42(3)32(30)40-31(27)44(18-24-4-5-24)19-25-6-7-25/h14-19,26-27H,6-13,20-23H2,1-5H3;13-18,25-26H,6-12,19-22H2,1-5H3;12-17,24-25H,6-11,18-21H2,1-5H3;12-17,24-25H,4-11,18-21H2,1-3H3
InChIKeyVYYZOSPWDFTYGS-UHFFFAOYSA-N
XLogP28.32
TPSA326.67 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002663.19
LogP ≤ 528.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 71539630
1-(2-(((6-(Bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)pyrrolidin-2-one
CID 71539682
3-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 118642743
1-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one
CID 118642747
1-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-[2-[[[5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-(cyclopropylmethyl)amino]methyl]cyclopropyl]pyrrolidin-2-one
CID 126693138
1-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;ethane
CID 144627393
3-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;ethane
CID 144627451
methyl (2S)-2-[[7-[[1-[4-[7-[[1-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-2-oxo-3H-pyrrol-3-yl]methyl]-3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]methyl]-2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965462
Tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157220125
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (CID 161438632) is 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCCC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is VYYZOSPWDFTYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47F3N8O.C37H45F3N8O.C36H43F3N8O2.C34H41F3N8O/c1-24-14-28(16-30(15-24)37(38,39)40)22-47(35-41-18-31(19-42-35)45-10-12-49-13-11-45)23-29-17-32-25(2)44-48(36(3,4)5)34(32)43-33(29)46(20-26-6-7-26)21-27-8-9-27;1-23-13-27(15-29(14-23)37(38,39)40)21-46(35-41-17-30(18-42-35)47-12-6-7-32(47)49)22-28-16-31-24(2)44-48(36(3,4)5)34(31)43-33(28)45(19-25-8-9-25)20-26-10-11-26;1-22-12-26(14-28(13-22)36(37,38)39)20-45(33-40-16-29(17-41-33)46-10-11-49-34(46)48)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)44(18-24-6-7-24)19-25-8-9-25;1-22-12-26(14-28(13-22)34(35,36)37)20-45(33-38-16-29(17-39-33)43-8-10-46-11-9-43)21-27-15-30-23(2)41-42(3)32(30)40-31(27)44(18-24-4-5-24)19-25-6-7-25/h14-19,26-27H,6-13,20-23H2,1-5H3;13-18,25-26H,6-12,19-22H2,1-5H3;12-17,24-25H,6-11,18-21H2,1-5H3;12-17,24-25H,4-11,18-21H2,1-3H3.
What are the key properties of 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?
3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2663.19 g/mol, XLogP of 28.32, 44 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-1,3-oxazolidin-2-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 161438632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).