4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C104H83F2N29O4 — CID 158368289

IUPAC4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1CN1CCCC1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1F.Nc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C26H18FN7O.C26H24FN7O.C26H22N8O.C26H19N7O/c27-19-7-3-2-6-18(19)23-17(11-15-5-1-4-8-20(15)32-23)13-34-26-22(25(28)30-14-31-26)24(33-34)16-9-10-29-21(35)12-16;27-19-10-17(11-20(35)12-19)24-23-25(28)29-15-30-26(23)34(32-24)13-18-9-16-5-1-2-6-21(16)31-22(18)14-33-7-3-4-8-33;27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17;27-25-22-24(18-10-11-28-21(34)13-18)32-33(26(22)30-15-29-25)14-19-12-17-8-4-5-9-20(17)31-23(19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,29,35)(H2,28,30,31);1-2,5-6,9-12,15,35H,3-4,7-8,13-14H2,(H2,28,29,30);1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29);1-13,15H,14H2,(H,28,34)(H2,27,29,30)
InChIKeyGUHHXDAEBQBURM-UHFFFAOYSA-N
MW1841.00 g/mol
LogP15.83
Rot. Bonds19

About 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 158368289) has the molecular formula C104H83F2N29O4 and a molecular weight of 1841.00 g/mol. Its IUPAC name is 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID158368289
Molecular FormulaC104H83F2N29O4
Molecular Weight1841.00 g/mol
Exact Mass1839.72
IUPAC Name4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1CN1CCCC1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1F.Nc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C26H18FN7O.C26H24FN7O.C26H22N8O.C26H19N7O/c27-19-7-3-2-6-18(19)23-17(11-15-5-1-4-8-20(15)32-23)13-34-26-22(25(28)30-14-31-26)24(33-34)16-9-10-29-21(35)12-16;27-19-10-17(11-20(35)12-19)24-23-25(28)29-15-30-26(23)34(32-24)13-18-9-16-5-1-2-6-21(16)31-22(18)14-33-7-3-4-8-33;27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17;27-25-22-24(18-10-11-28-21(34)13-18)32-33(26(22)30-15-29-25)14-19-12-17-8-4-5-9-20(17)31-23(19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,29,35)(H2,28,30,31);1-2,5-6,9-12,15,35H,3-4,7-8,13-14H2,(H2,28,29,30);1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29);1-13,15H,14H2,(H,28,34)(H2,27,29,30)
InChIKeyGUHHXDAEBQBURM-UHFFFAOYSA-N
XLogP15.83
TPSA457.28 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.00
LogP ≤ 515.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol with MolForge

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Related Compounds

3-[4-Amino-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515055
3-[4-Amino-1-[[2-(2-morpholin-4-ylethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90296761
5-[2-[1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 118572985
4-[2-[1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 118573015
6-[2-[1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 118573102
4-[2-[(1S)-1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 118581211
4-[2-[(1R)-1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 118581215
1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
CID 144859340
2-(dimethylamino)-N-[5-[5-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-7-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-8H-pyrido[2,3-d]pyridazin-3-yl]-3-pyridinyl]acetamide
CID 145245549
3-[4-amino-1-[(2-chloroquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol
CID 158041322
3-[4-Amino-1-[[2-(cyclobutylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(cyclopentylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 160159854
4-[2-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 144980004

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 158368289) is 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1CN1CCCC1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.Nc1ncnc2c1c(-c1cc[nH]c(=O)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1F.Nc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is GUHHXDAEBQBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN7O.C26H24FN7O.C26H22N8O.C26H19N7O/c27-19-7-3-2-6-18(19)23-17(11-15-5-1-4-8-20(15)32-23)13-34-26-22(25(28)30-14-31-26)24(33-34)16-9-10-29-21(35)12-16;27-19-10-17(11-20(35)12-19)24-23-25(28)29-15-30-26(23)34(32-24)13-18-9-16-5-1-2-6-21(16)31-22(18)14-33-7-3-4-8-33;27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17;27-25-22-24(18-10-11-28-21(34)13-18)32-33(26(22)30-15-29-25)14-19-12-17-8-4-5-9-20(17)31-23(19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,29,35)(H2,28,30,31);1-2,5-6,9-12,15,35H,3-4,7-8,13-14H2,(H2,28,29,30);1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29);1-13,15H,14H2,(H,28,34)(H2,27,29,30).
What are the key properties of 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 1841.00 g/mol, XLogP of 15.83, 19 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 158368289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).