7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one

C22H19ClF2N4O2 — CID 137010640

IUPAC7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCOCCN(C)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1
InChIInChI=1S/C22H19ClF2N4O2/c1-28(10-11-31-2)14-8-6-13(7-9-14)19-18-20(15(23)12-26-22(18)30)29(27-19)21-16(24)4-3-5-17(21)25/h3-9,12H,10-11H2,1-2H3,(H,26,30)
InChIKeyLPBCAJCXSGIMAE-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.39
Rot. Bonds6

About 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one

7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 137010640) has the molecular formula C22H19ClF2N4O2 and a molecular weight of 444.87 g/mol. Its IUPAC name is 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID137010640
Molecular FormulaC22H19ClF2N4O2
Molecular Weight444.87 g/mol
Exact Mass444.12
IUPAC Name7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCOCCN(C)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1
InChIInChI=1S/C22H19ClF2N4O2/c1-28(10-11-31-2)14-8-6-13(7-9-14)19-18-20(15(23)12-26-22(18)30)29(27-19)21-16(24)4-3-5-17(21)25/h3-9,12H,10-11H2,1-2H3,(H,26,30)
InChIKeyLPBCAJCXSGIMAE-UHFFFAOYSA-N
XLogP4.39
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one (CID 137010640) is 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one is COCCN(C)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1.
What is the InChIKey of 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is LPBCAJCXSGIMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2/c1-28(10-11-31-2)14-8-6-13(7-9-14)19-18-20(15(23)12-26-22(18)30)29(27-19)21-16(24)4-3-5-17(21)25/h3-9,12H,10-11H2,1-2H3,(H,26,30).
What are the key properties of 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one?
7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 444.87 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 137010640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).