N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine

C112H119ClN46O6 — CID 167600770

IUPACN-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)cc1.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)cn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3Cl)ncc12
InChIInChI=1S/C21H20N8O.2C19H21N7O.2C18H20N8O.C17H17ClN8O/c1-13-8-19-23-12-24-28(19)11-18(13)25-21-22-9-17-14(2)27-29(20(17)26-21)10-15-4-6-16(30-3)7-5-15;1-12-9-17-20-5-6-25(17)11-16(12)22-19-21-10-15-13(2)24-26(18(15)23-19)14-3-7-27-8-4-14;1-12-7-17-21-11-22-26(17)10-16(12)23-19-20-8-15-13(2)9-25(18(15)24-19)14-3-5-27-6-4-14;2*1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13;1-10-12-7-19-17(22-14-8-25-15(6-13(14)18)20-9-21-25)23-16(12)26(24-10)11-2-4-27-5-3-11/h4-9,11-12H,10H2,1-3H3,(H,22,25,26);5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23);7-11,14H,3-6H2,1-2H3,(H,20,23,24);2*7-10,13H,3-6H2,1-2H3,(H,19,22,23);6-9,11H,2-5H2,1H3,(H,19,22,23)
InChIKeyJRYYSXCDWMFPIR-UHFFFAOYSA-N
MW2240.95 g/mol
LogP17.75
Rot. Bonds20

About N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 167600770) has the molecular formula C112H119ClN46O6 and a molecular weight of 2240.95 g/mol. Its IUPAC name is N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID167600770
Molecular FormulaC112H119ClN46O6
Molecular Weight2240.95 g/mol
Exact Mass2239.01
IUPAC NameN-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)cc1.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)cn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3Cl)ncc12
InChIInChI=1S/C21H20N8O.2C19H21N7O.2C18H20N8O.C17H17ClN8O/c1-13-8-19-23-12-24-28(19)11-18(13)25-21-22-9-17-14(2)27-29(20(17)26-21)10-15-4-6-16(30-3)7-5-15;1-12-9-17-20-5-6-25(17)11-16(12)22-19-21-10-15-13(2)24-26(18(15)23-19)14-3-7-27-8-4-14;1-12-7-17-21-11-22-26(17)10-16(12)23-19-20-8-15-13(2)9-25(18(15)24-19)14-3-5-27-6-4-14;2*1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13;1-10-12-7-19-17(22-14-8-25-15(6-13(14)18)20-9-21-25)23-16(12)26(24-10)11-2-4-27-5-3-11/h4-9,11-12H,10H2,1-3H3,(H,22,25,26);5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23);7-11,14H,3-6H2,1-2H3,(H,20,23,24);2*7-10,13H,3-6H2,1-2H3,(H,19,22,23);6-9,11H,2-5H2,1H3,(H,19,22,23)
InChIKeyJRYYSXCDWMFPIR-UHFFFAOYSA-N
XLogP17.75
TPSA544.52 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002240.95
LogP ≤ 517.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Analyze N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
WO2022090481, Example I-029
CID 164514169
WO2022090481, Example I-172
CID 163273356
WO2022090481, Example I-207
CID 163273471
WO2022090481, Example I-224
CID 163273529
WO2022090481, Example I-167
CID 163273625
WO2022090481, Example I-213
CID 164514247
5-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172875495
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
6-[4-(1,1-Difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157166926
5-(1,1-Difluoroethyl)-3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine;1-(1,1-difluoroethyl)-7-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;8-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;1-(1,1-difluoroethyl)-7-[4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;3-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolo[1,2-b]pyridazine;3-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolo[1,2-c]pyrimidine;7-[4-(trifluoromethoxy)phenyl]indolizine;2-[4-(trifluoromethoxy)phenyl]pyrrolo[1,2-a]pyrimidine;3-[4-(trifluoromethoxy)phenyl]pyrrolo[1,2-c]pyrimidine
CID 157854114
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 167600770) is N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)cc1.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)cn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3Cl)ncc12.
What is the InChIKey of N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JRYYSXCDWMFPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O.2C19H21N7O.2C18H20N8O.C17H17ClN8O/c1-13-8-19-23-12-24-28(19)11-18(13)25-21-22-9-17-14(2)27-29(20(17)26-21)10-15-4-6-16(30-3)7-5-15;1-12-9-17-20-5-6-25(17)11-16(12)22-19-21-10-15-13(2)24-26(18(15)23-19)14-3-7-27-8-4-14;1-12-7-17-21-11-22-26(17)10-16(12)23-19-20-8-15-13(2)9-25(18(15)24-19)14-3-5-27-6-4-14;2*1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13;1-10-12-7-19-17(22-14-8-25-15(6-13(14)18)20-9-21-25)23-16(12)26(24-10)11-2-4-27-5-3-11/h4-9,11-12H,10H2,1-3H3,(H,22,25,26);5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23);7-11,14H,3-6H2,1-2H3,(H,20,23,24);2*7-10,13H,3-6H2,1-2H3,(H,19,22,23);6-9,11H,2-5H2,1H3,(H,19,22,23).
What are the key properties of N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2240.95 g/mol, XLogP of 17.75, 20 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine);5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 167600770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).