7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine

C22H20FN3O — CID 144863778

IUPAC7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine
SMILESCc1cccc(OCc2cc(-c3cc(C)nc4cnn(C)c34)ccc2F)c1
InChIInChI=1S/C22H20FN3O/c1-14-5-4-6-18(9-14)27-13-17-11-16(7-8-20(17)23)19-10-15(2)25-21-12-24-26(3)22(19)21/h4-12H,13H2,1-3H3
InChIKeyCIUJULBUBDPNKG-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.97
Rot. Bonds4

About 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine

7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine (PubChem CID 144863778) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine
PubChem CID144863778
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine
SMILESCc1cccc(OCc2cc(-c3cc(C)nc4cnn(C)c34)ccc2F)c1
InChIInChI=1S/C22H20FN3O/c1-14-5-4-6-18(9-14)27-13-17-11-16(7-8-20(17)23)19-10-15(2)25-21-12-24-26(3)22(19)21/h4-12H,13H2,1-3H3
InChIKeyCIUJULBUBDPNKG-UHFFFAOYSA-N
XLogP4.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine?
The IUPAC name of 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine (CID 144863778) is 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine is Cc1cccc(OCc2cc(-c3cc(C)nc4cnn(C)c34)ccc2F)c1.
What is the InChIKey of 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine?
The InChIKey is CIUJULBUBDPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-14-5-4-6-18(9-14)27-13-17-11-16(7-8-20(17)23)19-10-15(2)25-21-12-24-26(3)22(19)21/h4-12H,13H2,1-3H3.
What are the key properties of 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine?
7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine has a molecular weight of 361.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-3-[(3-methylphenoxy)methyl]phenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 144863778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).