4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine

C16H16FN5O2 — CID 66829076

IUPAC4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3F)c12
InChIInChI=1S/C16H16FN5O2/c1-23-16-12-11(3-5-19-16)20-21-14(12)10-2-4-18-15(13(10)17)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyMPLSUXOBEKUWMF-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.00
Rot. Bonds3

About 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine

4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine (PubChem CID 66829076) has the molecular formula C16H16FN5O2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine
PubChem CID66829076
Molecular FormulaC16H16FN5O2
Molecular Weight329.33 g/mol
Exact Mass329.13
IUPAC Name4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3F)c12
InChIInChI=1S/C16H16FN5O2/c1-23-16-12-11(3-5-19-16)20-21-14(12)10-2-4-18-15(13(10)17)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyMPLSUXOBEKUWMF-UHFFFAOYSA-N
XLogP2.00
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine (CID 66829076) is 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine is COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3F)c12.
What is the InChIKey of 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine?
The InChIKey is MPLSUXOBEKUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-23-16-12-11(3-5-19-16)20-21-14(12)10-2-4-18-15(13(10)17)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine?
4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine has a molecular weight of 329.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 66829076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).