3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol

C31H23FN8O — CID 136937433

IUPAC3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C31H23FN8O/c32-22-9-20(10-23(41)11-22)24-6-7-35-30-28(24)37-31(38-30)29-25-12-26(36-17-27(25)39-40-29)21-8-19(15-34-16-21)14-33-13-18-4-2-1-3-5-18/h1-12,15-17,33,41H,13-14H2,(H,39,40)(H,35,37,38)
InChIKeyFZZFFVWQGJWASX-UHFFFAOYSA-N
MW542.58 g/mol
LogP5.76
Rot. Bonds7

About 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol

3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol (PubChem CID 136937433) has the molecular formula C31H23FN8O and a molecular weight of 542.58 g/mol. Its IUPAC name is 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
PubChem CID136937433
Molecular FormulaC31H23FN8O
Molecular Weight542.58 g/mol
Exact Mass542.20
IUPAC Name3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C31H23FN8O/c32-22-9-20(10-23(41)11-22)24-6-7-35-30-28(24)37-31(38-30)29-25-12-26(36-17-27(25)39-40-29)21-8-19(15-34-16-21)14-33-13-18-4-2-1-3-5-18/h1-12,15-17,33,41H,13-14H2,(H,39,40)(H,35,37,38)
InChIKeyFZZFFVWQGJWASX-UHFFFAOYSA-N
XLogP5.76
TPSA128.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.58
LogP ≤ 55.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol 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-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol (CID 136937433) is 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol is Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
The InChIKey is FZZFFVWQGJWASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN8O/c32-22-9-20(10-23(41)11-22)24-6-7-35-30-28(24)37-31(38-30)29-25-12-26(36-17-27(25)39-40-29)21-8-19(15-34-16-21)14-33-13-18-4-2-1-3-5-18/h1-12,15-17,33,41H,13-14H2,(H,39,40)(H,35,37,38).
What are the key properties of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol?
3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol has a molecular weight of 542.58 g/mol, XLogP of 5.76, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenol is sourced from PubChem (CID 136937433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).