3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol

C67H67F2N19O3 — CID 159883340

IUPAC3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
SMILESCN1CCN(c2ncccc2Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)CC1.Nc1ccnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cccnc1N1CCCC1.Nc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cccnc1N1CCCC1
InChIInChI=1S/C23H24FN7O.C22H21FN6O.C22H22N6O/c1-29-7-9-30(10-8-29)22-15(3-2-5-26-22)14-31-23-20(19(25)4-6-27-23)21(28-31)16-11-17(24)13-18(32)12-16;23-16-10-15(11-17(30)12-16)20-19-18(24)5-7-26-22(19)29(27-20)13-14-4-3-6-25-21(14)28-8-1-2-9-28;23-18-8-10-25-22-19(18)20(15-5-3-7-17(29)13-15)26-28(22)14-16-6-4-9-24-21(16)27-11-1-2-12-27/h2-6,11-13,32H,7-10,14H2,1H3,(H2,25,27);3-7,10-12,30H,1-2,8-9,13H2,(H2,24,26);3-10,13,29H,1-2,11-12,14H2,(H2,23,25)
InChIKeyNTUUYDWHKOQPPY-UHFFFAOYSA-N
MW1224.40 g/mol
LogP9.72
Rot. Bonds12

About 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol

3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol (PubChem CID 159883340) has the molecular formula C67H67F2N19O3 and a molecular weight of 1224.40 g/mol. Its IUPAC name is 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
PubChem CID159883340
Molecular FormulaC67H67F2N19O3
Molecular Weight1224.40 g/mol
Exact Mass1223.56
IUPAC Name3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
SMILESCN1CCN(c2ncccc2Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)CC1.Nc1ccnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cccnc1N1CCCC1.Nc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cccnc1N1CCCC1
InChIInChI=1S/C23H24FN7O.C22H21FN6O.C22H22N6O/c1-29-7-9-30(10-8-29)22-15(3-2-5-26-22)14-31-23-20(19(25)4-6-27-23)21(28-31)16-11-17(24)13-18(32)12-16;23-16-10-15(11-17(30)12-16)20-19-18(24)5-7-26-22(19)29(27-20)13-14-4-3-6-25-21(14)28-8-1-2-9-28;23-18-8-10-25-22-19(18)20(15-5-3-7-17(29)13-15)26-28(22)14-16-6-4-9-24-21(16)27-11-1-2-12-27/h2-6,11-13,32H,7-10,14H2,1H3,(H2,25,27);3-7,10-12,30H,1-2,8-9,13H2,(H2,24,26);3-10,13,29H,1-2,11-12,14H2,(H2,23,25)
InChIKeyNTUUYDWHKOQPPY-UHFFFAOYSA-N
XLogP9.72
TPSA282.51 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.40
LogP ≤ 59.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-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
1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 46879450
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(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 46880136
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
2-fluoro-5-(7-(2-methyl-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 46880218
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880074
5-(4-amino-1-((5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905307

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The IUPAC name of 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol (CID 159883340) is 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The canonical SMILES for 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol is CN1CCN(c2ncccc2Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)CC1.Nc1ccnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cccnc1N1CCCC1.Nc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cccnc1N1CCCC1.
What is the InChIKey of 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The InChIKey is NTUUYDWHKOQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O.C22H21FN6O.C22H22N6O/c1-29-7-9-30(10-8-29)22-15(3-2-5-26-22)14-31-23-20(19(25)4-6-27-23)21(28-31)16-11-17(24)13-18(32)12-16;23-16-10-15(11-17(30)12-16)20-19-18(24)5-7-26-22(19)29(27-20)13-14-4-3-6-25-21(14)28-8-1-2-9-28;23-18-8-10-25-22-19(18)20(15-5-3-7-17(29)13-15)26-28(22)14-16-6-4-9-24-21(16)27-11-1-2-12-27/h2-6,11-13,32H,7-10,14H2,1H3,(H2,25,27);3-7,10-12,30H,1-2,8-9,13H2,(H2,24,26);3-10,13,29H,1-2,11-12,14H2,(H2,23,25).
What are the key properties of 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol has a molecular weight of 1224.40 g/mol, XLogP of 9.72, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol is sourced from PubChem (CID 159883340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).