4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine

C23H21FN4O2 — CID 162676205

IUPAC4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(24)23(22)20-13-21-16(14-25-20)15-26-28(21)18-7-5-17(6-8-18)27-9-11-30-12-10-27/h2-8,13-15H,9-12H2,1H3
InChIKeyYPAVLWBTTZJTKK-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.07
Rot. Bonds4

About 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine

4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine (PubChem CID 162676205) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
PubChem CID162676205
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(24)23(22)20-13-21-16(14-25-20)15-26-28(21)18-7-5-17(6-8-18)27-9-11-30-12-10-27/h2-8,13-15H,9-12H2,1H3
InChIKeyYPAVLWBTTZJTKK-UHFFFAOYSA-N
XLogP4.07
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine 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-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine (CID 162676205) is 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine?
The InChIKey is YPAVLWBTTZJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(24)23(22)20-13-21-16(14-25-20)15-26-28(21)18-7-5-17(6-8-18)27-9-11-30-12-10-27/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine?
4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine has a molecular weight of 404.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine is sourced from PubChem (CID 162676205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).