3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C102H92F2N30O3 — CID 159202418

IUPAC3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(F)ccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1N1CCCCC1.Nc1ncnc2c1c(-c1ccccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2Cc1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C26H24FN7O.C26H23N9.C25H22FN7O.C25H23N7O/c27-19-11-17(12-20(35)13-19)23-22-24(28)29-15-30-26(22)34(32-23)14-18-10-16-6-2-3-7-21(16)31-25(18)33-8-4-1-5-9-33;27-23-21-22(18-12-17-7-8-28-24(17)29-13-18)33-35(26(21)31-15-30-23)14-19-11-16-5-1-2-6-20(16)32-25(19)34-9-3-4-10-34;26-17-7-8-20(34)18(12-17)22-21-23(27)28-14-29-25(21)33(31-22)13-16-11-15-5-1-2-6-19(15)30-24(16)32-9-3-4-10-32;26-23-21-22(18-8-2-4-10-20(18)33)30-32(25(21)28-15-27-23)14-17-13-16-7-1-3-9-19(16)29-24(17)31-11-5-6-12-31/h2-3,6-7,10-13,15,35H,1,4-5,8-9,14H2,(H2,28,29,30);1-2,5-8,11-13,15H,3-4,9-10,14H2,(H,28,29)(H2,27,30,31);1-2,5-8,11-12,14,34H,3-4,9-10,13H2,(H2,27,28,29);1-4,7-10,13,15,33H,5-6,11-12,14H2,(H2,26,27,28)
InChIKeyKPLOFUBRBXXPCF-UHFFFAOYSA-N
MW1824.06 g/mol
LogP16.75
Rot. Bonds16

About 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159202418) has the molecular formula C102H92F2N30O3 and a molecular weight of 1824.06 g/mol. Its IUPAC name is 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID159202418
Molecular FormulaC102H92F2N30O3
Molecular Weight1824.06 g/mol
Exact Mass1822.79
IUPAC Name3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(F)ccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1N1CCCCC1.Nc1ncnc2c1c(-c1ccccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2Cc1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C26H24FN7O.C26H23N9.C25H22FN7O.C25H23N7O/c27-19-11-17(12-20(35)13-19)23-22-24(28)29-15-30-26(22)34(32-23)14-18-10-16-6-2-3-7-21(16)31-25(18)33-8-4-1-5-9-33;27-23-21-22(18-12-17-7-8-28-24(17)29-13-18)33-35(26(21)31-15-30-23)14-19-11-16-5-1-2-6-20(16)32-25(19)34-9-3-4-10-34;26-17-7-8-20(34)18(12-17)22-21-23(27)28-14-29-25(21)33(31-22)13-16-11-15-5-1-2-6-19(15)30-24(16)32-9-3-4-10-32;26-23-21-22(18-8-2-4-10-20(18)33)30-32(25(21)28-15-27-23)14-17-13-16-7-1-3-9-19(16)29-24(17)31-11-5-6-12-31/h2-3,6-7,10-13,15,35H,1,4-5,8-9,14H2,(H2,28,29,30);1-2,5-8,11-13,15H,3-4,9-10,14H2,(H,28,29)(H2,27,30,31);1-2,5-8,11-12,14,34H,3-4,9-10,13H2,(H2,27,28,29);1-4,7-10,13,15,33H,5-6,11-12,14H2,(H2,26,27,28)
InChIKeyKPLOFUBRBXXPCF-UHFFFAOYSA-N
XLogP16.75
TPSA432.37 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001824.06
LogP ≤ 516.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159202418) is 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(F)ccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1N1CCCCC1.Nc1ncnc2c1c(-c1ccccc1O)nn2Cc1cc2ccccc2nc1N1CCCC1.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2Cc1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KPLOFUBRBXXPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O.C26H23N9.C25H22FN7O.C25H23N7O/c27-19-11-17(12-20(35)13-19)23-22-24(28)29-15-30-26(22)34(32-23)14-18-10-16-6-2-3-7-21(16)31-25(18)33-8-4-1-5-9-33;27-23-21-22(18-12-17-7-8-28-24(17)29-13-18)33-35(26(21)31-15-30-23)14-19-11-16-5-1-2-6-20(16)32-25(19)34-9-3-4-10-34;26-17-7-8-20(34)18(12-17)22-21-23(27)28-14-29-25(21)33(31-22)13-16-11-15-5-1-2-6-19(15)30-24(16)32-9-3-4-10-32;26-23-21-22(18-8-2-4-10-20(18)33)30-32(25(21)28-15-27-23)14-17-13-16-7-1-3-9-19(16)29-24(17)31-11-5-6-12-31/h2-3,6-7,10-13,15,35H,1,4-5,8-9,14H2,(H2,28,29,30);1-2,5-8,11-13,15H,3-4,9-10,14H2,(H,28,29)(H2,27,30,31);1-2,5-8,11-12,14,34H,3-4,9-10,13H2,(H2,27,28,29);1-4,7-10,13,15,33H,5-6,11-12,14H2,(H2,26,27,28).
What are the key properties of 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1824.06 g/mol, XLogP of 16.75, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).