3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol

C27H20N6O — CID 121403203

IUPAC3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
SMILESNc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cc2ccccc2nc1-c1cccnc1
InChIInChI=1S/C27H20N6O/c28-22-10-12-30-27-24(22)26(18-6-3-8-21(34)14-18)32-33(27)16-20-13-17-5-1-2-9-23(17)31-25(20)19-7-4-11-29-15-19/h1-15,34H,16H2,(H2,28,30)
InChIKeyPUDFXEKMXALRHS-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.04
Rot. Bonds4

About 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol

3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol (PubChem CID 121403203) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
PubChem CID121403203
Molecular FormulaC27H20N6O
Molecular Weight444.50 g/mol
Exact Mass444.17
IUPAC Name3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
SMILESNc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cc2ccccc2nc1-c1cccnc1
InChIInChI=1S/C27H20N6O/c28-22-10-12-30-27-24(22)26(18-6-3-8-21(34)14-18)32-33(27)16-20-13-17-5-1-2-9-23(17)31-25(20)19-7-4-11-29-15-19/h1-15,34H,16H2,(H2,28,30)
InChIKeyPUDFXEKMXALRHS-UHFFFAOYSA-N
XLogP5.04
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The IUPAC name of 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol (CID 121403203) is 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The canonical SMILES for 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol is Nc1ccnc2c1c(-c1cccc(O)c1)nn2Cc1cc2ccccc2nc1-c1cccnc1.
What is the InChIKey of 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
The InChIKey is PUDFXEKMXALRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c28-22-10-12-30-27-24(22)26(18-6-3-8-21(34)14-18)32-33(27)16-20-13-17-5-1-2-9-23(17)31-25(20)19-7-4-11-29-15-19/h1-15,34H,16H2,(H2,28,30).
What are the key properties of 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol?
3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol has a molecular weight of 444.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol is sourced from PubChem (CID 121403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).