6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C19H20F2N4O3 — CID 137303457

IUPAC6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CCN2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C19H20F2N4O3/c1-11-14-17(26)18(27)16(15-12(20)3-2-4-13(15)21)22-19(14)25(23-11)6-5-24-7-9-28-10-8-24/h2-4,27H,5-10H2,1H3,(H,22,26)
InChIKeyOJZHEEBYRYZKDJ-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.02
Rot. Bonds4

About 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303457) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303457
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CCN2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C19H20F2N4O3/c1-11-14-17(26)18(27)16(15-12(20)3-2-4-13(15)21)22-19(14)25(23-11)6-5-24-7-9-28-10-8-24/h2-4,27H,5-10H2,1H3,(H,22,26)
InChIKeyOJZHEEBYRYZKDJ-UHFFFAOYSA-N
XLogP2.02
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one;dihydrochloride
CID 153408764
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303526
6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151512455
1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135524528
3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303493
6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152643842
6-(2-chlorophenyl)-5-hydroxy-1-methyl-3-(morpholin-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151786711
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
2-amino-6-(2,6-difluorophenyl)-3-[2-[4-(2-fluoroethyl)piperazin-1-yl]ethanimidoyl]-5-hydroxy-1H-pyridin-4-one;methane
CID 160950320
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19484958
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605378
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303457) is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(CCN2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is OJZHEEBYRYZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11-14-17(26)18(27)16(15-12(20)3-2-4-13(15)21)22-19(14)25(23-11)6-5-24-7-9-28-10-8-24/h2-4,27H,5-10H2,1H3,(H,22,26).
What are the key properties of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 390.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).