N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C62H47N19O6 — CID 145387986

IUPACN-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2coc(-c3n[nH]c4ncnc(Nc5cc(-c6ccnn6C)ccc5OC)c34)c2)c(-c2ccoc2)cc1Nc1ncnc2[nH]nc(-c3cccc(-c4cc(-c5ccoc5)cc(Nc5ncnc6[nH]nc(-c7cnn(C)c7)c56)c4OC)c3)c12
InChIInChI=1S/C62H47N19O6/c1-80-25-39(24-70-80)54-51-58(64-30-67-61(51)78-75-54)73-45-20-37(35-12-15-85-26-35)18-42(56(45)84-5)32-7-6-8-34(17-32)53-50-57(63-29-66-60(50)77-74-53)72-44-22-40(36-13-16-86-27-36)41(23-48(44)83-4)38-21-49(87-28-38)55-52-59(65-31-68-62(52)79-76-55)71-43-19-33(9-10-47(43)82-3)46-11-14-69-81(46)2/h6-31H,1-5H3,(H2,63,66,72,74,77)(H2,64,67,73,75,78)(H2,65,68,71,76,79)
InChIKeyNZSMFLCUYSAIKH-UHFFFAOYSA-N
MW1154.18 g/mol
LogP12.52
Rot. Bonds17

About N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 145387986) has the molecular formula C62H47N19O6 and a molecular weight of 1154.18 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID145387986
Molecular FormulaC62H47N19O6
Molecular Weight1154.18 g/mol
Exact Mass1153.40
IUPAC NameN-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2coc(-c3n[nH]c4ncnc(Nc5cc(-c6ccnn6C)ccc5OC)c34)c2)c(-c2ccoc2)cc1Nc1ncnc2[nH]nc(-c3cccc(-c4cc(-c5ccoc5)cc(Nc5ncnc6[nH]nc(-c7cnn(C)c7)c56)c4OC)c3)c12
InChIInChI=1S/C62H47N19O6/c1-80-25-39(24-70-80)54-51-58(64-30-67-61(51)78-75-54)73-45-20-37(35-12-15-85-26-35)18-42(56(45)84-5)32-7-6-8-34(17-32)53-50-57(63-29-66-60(50)77-74-53)72-44-22-40(36-13-16-86-27-36)41(23-48(44)83-4)38-21-49(87-28-38)55-52-59(65-31-68-62(52)79-76-55)71-43-19-33(9-10-47(43)82-3)46-11-14-69-81(46)2/h6-31H,1-5H3,(H2,63,66,72,74,77)(H2,64,67,73,75,78)(H2,65,68,71,76,79)
InChIKeyNZSMFLCUYSAIKH-UHFFFAOYSA-N
XLogP12.52
TPSA302.22 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001154.18
LogP ≤ 512.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(Furan-2-Yl)-N-[5-(Furan-2-Yl)-2-Methoxyphenyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 121487955
3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;5-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2H-imidazole-4-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]furo[2,3-c]pyridine-5-carboxamide
CID 158232511
1-[4-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 159454013
1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 161184799
1-[2-[4-[4-[[6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)-4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]-N-[[4-(2-ethylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176976666
N-(1H-indazol-5-yl)-4-methoxy-7-[[6-[4-methoxy-2-[4-(1H-pyrazol-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzoxazol-2-yl]methyl]-5-(2-methyl-1,3-benzoxazol-6-yl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 132033731
N-[2-[2-[3-[4-[2-methoxy-4-[3-[4-(2-methoxy-5-pyrazin-2-ylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-5-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-4-yl]ethoxy]-5-pyrimidin-2-ylphenyl]-3-(1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049223
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 132049235
N-[5-(furan-3-yl)-3-[2-[4-[5-(furan-3-yl)-3-[4-[4-[5-(furan-2-yl)-2-methoxyanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-2-methoxyanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049787
N-[3-[4-[4-[2-ethoxy-3-[4-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-(furan-3-yl)-2-methoxyphenyl]-3-(2-methylpyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049788
N-[2-methoxy-3-[2-[4-[2-methoxy-3-[4-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049791
3-[[3-[4-[3-[[3-[4-[3-[[3-(furan-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-2-methoxy-5-phenylphenyl]thiophen-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-methylamino]-2-methoxy-5-phenylphenyl]thiophen-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 132049840

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 145387986) is N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cc(-c2coc(-c3n[nH]c4ncnc(Nc5cc(-c6ccnn6C)ccc5OC)c34)c2)c(-c2ccoc2)cc1Nc1ncnc2[nH]nc(-c3cccc(-c4cc(-c5ccoc5)cc(Nc5ncnc6[nH]nc(-c7cnn(C)c7)c56)c4OC)c3)c12.
What is the InChIKey of N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NZSMFLCUYSAIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N19O6/c1-80-25-39(24-70-80)54-51-58(64-30-67-61(51)78-75-54)73-45-20-37(35-12-15-85-26-35)18-42(56(45)84-5)32-7-6-8-34(17-32)53-50-57(63-29-66-60(50)77-74-53)72-44-22-40(36-13-16-86-27-36)41(23-48(44)83-4)38-21-49(87-28-38)55-52-59(65-31-68-62(52)79-76-55)71-43-19-33(9-10-47(43)82-3)46-11-14-69-81(46)2/h6-31H,1-5H3,(H2,63,66,72,74,77)(H2,64,67,73,75,78)(H2,65,68,71,76,79).
What are the key properties of N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1154.18 g/mol, XLogP of 12.52, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 145387986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).