3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol

C108H87F3N26O4 — CID 160659031

IUPAC3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CCN(CC)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cc1ccncc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C28H21FN6O.C28H22N6O.C27H20FN7O.C25H24FN7O/c1-16(22-13-18-9-5-6-10-23(18)33-25(22)17-7-3-2-4-8-17)35-28-24(27(30)31-15-32-28)26(34-35)19-11-20(29)14-21(36)12-19;1-17(22-15-19-10-5-6-13-23(19)32-25(22)18-8-3-2-4-9-18)34-28-24(27(29)30-16-31-28)26(33-34)20-11-7-12-21(35)14-20;1-15-6-7-30-12-21(15)24-18(8-16-4-2-3-5-22(16)33-24)13-35-27-23(26(29)31-14-32-27)25(34-35)17-9-19(28)11-20(36)10-17;1-3-32(4-2)24-17(9-15-7-5-6-8-20(15)30-24)13-33-25-21(23(27)28-14-29-25)22(31-33)16-10-18(26)12-19(34)11-16/h2-16,36H,1H3,(H2,30,31,32);2-17,35H,1H3,(H2,29,30,31);2-12,14,36H,13H2,1H3,(H2,29,31,32);5-12,14,34H,3-4,13H2,1-2H3,(H2,27,28,29)
InChIKeyRLKSBXSPNPDRDA-UHFFFAOYSA-N
MW1870.06 g/mol
LogP20.60
Rot. Bonds18

About 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol

3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol (PubChem CID 160659031) has the molecular formula C108H87F3N26O4 and a molecular weight of 1870.06 g/mol. Its IUPAC name is 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
PubChem CID160659031
Molecular FormulaC108H87F3N26O4
Molecular Weight1870.06 g/mol
Exact Mass1868.74
IUPAC Name3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CCN(CC)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cc1ccncc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C28H21FN6O.C28H22N6O.C27H20FN7O.C25H24FN7O/c1-16(22-13-18-9-5-6-10-23(18)33-25(22)17-7-3-2-4-8-17)35-28-24(27(30)31-15-32-28)26(34-35)19-11-20(29)14-21(36)12-19;1-17(22-15-19-10-5-6-13-23(19)32-25(22)18-8-3-2-4-9-18)34-28-24(27(29)30-16-31-28)26(33-34)20-11-7-12-21(35)14-20;1-15-6-7-30-12-21(15)24-18(8-16-4-2-3-5-22(16)33-24)13-35-27-23(26(29)31-14-32-27)25(34-35)17-9-19(28)11-20(36)10-17;1-3-32(4-2)24-17(9-15-7-5-6-8-20(15)30-24)13-33-25-21(23(27)28-14-29-25)22(31-33)16-10-18(26)12-19(34)11-16/h2-16,36H,1H3,(H2,30,31,32);2-17,35H,1H3,(H2,29,30,31);2-12,14,36H,13H2,1H3,(H2,29,31,32);5-12,14,34H,3-4,13H2,1-2H3,(H2,27,28,29)
InChIKeyRLKSBXSPNPDRDA-UHFFFAOYSA-N
XLogP20.60
TPSA427.09 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.06
LogP ≤ 520.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol with MolForge

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Related Compounds

5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
3-[4-Amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279051
3-[4-Amino-1-[[8-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279135
3-[4-Amino-1-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279136
3-[4-Amino-1-[[8-methyl-2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279138
3-[4-Amino-1-[[2-(2-propan-2-ylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279222
3-[4-Amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 45279307
3-[4-Amino-1-[(2-ethylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58514974
3-[4-Amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58514992
3-[4-Amino-1-[[2-(propan-2-ylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515000

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol (CID 160659031) is 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol is CC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CCN(CC)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cc1ccncc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The InChIKey is RLKSBXSPNPDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6O.C28H22N6O.C27H20FN7O.C25H24FN7O/c1-16(22-13-18-9-5-6-10-23(18)33-25(22)17-7-3-2-4-8-17)35-28-24(27(30)31-15-32-28)26(34-35)19-11-20(29)14-21(36)12-19;1-17(22-15-19-10-5-6-13-23(19)32-25(22)18-8-3-2-4-9-18)34-28-24(27(29)30-16-31-28)26(33-34)20-11-7-12-21(35)14-20;1-15-6-7-30-12-21(15)24-18(8-16-4-2-3-5-22(16)33-24)13-35-27-23(26(29)31-14-32-27)25(34-35)17-9-19(28)11-20(36)10-17;1-3-32(4-2)24-17(9-15-7-5-6-8-20(15)30-24)13-33-25-21(23(27)28-14-29-25)22(31-33)16-10-18(26)12-19(34)11-16/h2-16,36H,1H3,(H2,30,31,32);2-17,35H,1H3,(H2,29,30,31);2-12,14,36H,13H2,1H3,(H2,29,31,32);5-12,14,34H,3-4,13H2,1-2H3,(H2,27,28,29).
What are the key properties of 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol has a molecular weight of 1870.06 g/mol, XLogP of 20.60, 18 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol is sourced from PubChem (CID 160659031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).