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

C17H17FN4O — CID 118040905

IUPAC4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyKXRXGPORYUDBBL-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.70
Rot. Bonds2

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

4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine (PubChem CID 118040905) 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[4,3-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
PubChem CID118040905
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyKXRXGPORYUDBBL-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[4,3-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine (CID 118040905) is 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine is Cc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1.
What is the InChIKey of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
The InChIKey is KXRXGPORYUDBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 118040905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).