4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

C17H17FN4O — CID 53389777

IUPAC4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ccncc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-2-3-15(14(18)10-12)22-16-11-19-5-4-13(16)17(20-22)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyJABDJUYFZLQQFZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.70
Rot. Bonds2

About 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (PubChem CID 53389777) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
PubChem CID53389777
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ccncc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-2-3-15(14(18)10-12)22-16-11-19-5-4-13(16)17(20-22)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyJABDJUYFZLQQFZ-UHFFFAOYSA-N
XLogP2.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (CID 53389777) is 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is Cc1ccc(-n2nc(N3CCOCC3)c3ccncc32)c(F)c1.
What is the InChIKey of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The InChIKey is JABDJUYFZLQQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12-2-3-15(14(18)10-12)22-16-11-19-5-4-13(16)17(20-22)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine has a molecular weight of 312.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 53389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).