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

C20H22FN5O3 — CID 56942366

IUPAC4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1
InChIInChI=1S/C20H22FN5O3/c21-17-14(1-5-22-19(17)26-7-11-28-12-8-26)18-16-15(24-25-18)2-6-23-20(16)29-13-3-9-27-10-4-13/h1-2,5-6,13H,3-4,7-12H2,(H,24,25)
InChIKeyZXLICVWNVIJTPH-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.55
Rot. Bonds4

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

4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 56942366) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID56942366
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1
InChIInChI=1S/C20H22FN5O3/c21-17-14(1-5-22-19(17)26-7-11-28-12-8-26)18-16-15(24-25-18)2-6-23-20(16)29-13-3-9-27-10-4-13/h1-2,5-6,13H,3-4,7-12H2,(H,24,25)
InChIKeyZXLICVWNVIJTPH-UHFFFAOYSA-N
XLogP2.55
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 56942366) is 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is Fc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1.
What is the InChIKey of 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is ZXLICVWNVIJTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c21-17-14(1-5-22-19(17)26-7-11-28-12-8-26)18-16-15(24-25-18)2-6-23-20(16)29-13-3-9-27-10-4-13/h1-2,5-6,13H,3-4,7-12H2,(H,24,25).
What are the key properties of 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 399.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 56942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).