4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one

C22H16F2N4O3 — CID 137010718

IUPAC4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C22H16F2N4O3/c23-15-2-1-3-16(24)21(15)28-17-8-9-25-22(30)19(17)20(26-28)13-4-6-14(7-5-13)27-10-11-31-12-18(27)29/h1-9H,10-12H2,(H,25,30)
InChIKeyHISFFKDITDHBKW-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.02
Rot. Bonds3

About 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one

4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one (PubChem CID 137010718) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one
PubChem CID137010718
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC Name4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C22H16F2N4O3/c23-15-2-1-3-16(24)21(15)28-17-8-9-25-22(30)19(17)20(26-28)13-4-6-14(7-5-13)27-10-11-31-12-18(27)29/h1-9H,10-12H2,(H,25,30)
InChIKeyHISFFKDITDHBKW-UHFFFAOYSA-N
XLogP3.02
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one (CID 137010718) is 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one?
The InChIKey is HISFFKDITDHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c23-15-2-1-3-16(24)21(15)28-17-8-9-25-22(30)19(17)20(26-28)13-4-6-14(7-5-13)27-10-11-31-12-18(27)29/h1-9H,10-12H2,(H,25,30).
What are the key properties of 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one?
4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one has a molecular weight of 422.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 137010718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).