4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol

C22H20N4O2 — CID 90710646

IUPAC4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol
SMILESCc1ccc(Oc2cccc(-c3c4c(nc5[nH]ncc35)CNCC4O)c2)cc1
InChIInChI=1S/C22H20N4O2/c1-13-5-7-15(8-6-13)28-16-4-2-3-14(9-16)20-17-10-24-26-22(17)25-18-11-23-12-19(27)21(18)20/h2-10,19,23,27H,11-12H2,1H3,(H,24,25,26)
InChIKeyZCEMYXMSXFQIJB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.86
Rot. Bonds3

About 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol

4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol (PubChem CID 90710646) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol.

Molecular Properties

Compound Name4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol
PubChem CID90710646
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol
SMILESCc1ccc(Oc2cccc(-c3c4c(nc5[nH]ncc35)CNCC4O)c2)cc1
InChIInChI=1S/C22H20N4O2/c1-13-5-7-15(8-6-13)28-16-4-2-3-14(9-16)20-17-10-24-26-22(17)25-18-11-23-12-19(27)21(18)20/h2-10,19,23,27H,11-12H2,1H3,(H,24,25,26)
InChIKeyZCEMYXMSXFQIJB-UHFFFAOYSA-N
XLogP3.86
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol 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 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol?
The IUPAC name of 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol (CID 90710646) is 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol.
What is the SMILES notation for 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol?
The canonical SMILES for 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol is Cc1ccc(Oc2cccc(-c3c4c(nc5[nH]ncc35)CNCC4O)c2)cc1.
What is the InChIKey of 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol?
The InChIKey is ZCEMYXMSXFQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-5-7-15(8-6-13)28-16-4-2-3-14(9-16)20-17-10-24-26-22(17)25-18-11-23-12-19(27)21(18)20/h2-10,19,23,27H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol?
4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol has a molecular weight of 372.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol is sourced from PubChem (CID 90710646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).