2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

C20H16Cl2FN3O2 — CID 90765051

IUPAC2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CC=c2[nH]n(-c3cc(Cl)ccc3Cl)c(=O)c2=C1COc1ccc(F)cc1
InChIInChI=1S/C20H16Cl2FN3O2/c1-25-9-8-16-19(18(25)11-28-14-5-3-13(23)4-6-14)20(27)26(24-16)17-10-12(21)2-7-15(17)22/h2-8,10,24H,9,11H2,1H3
InChIKeyGXMCBZNTUSWTML-UHFFFAOYSA-N
MW420.27 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 90765051) has the molecular formula C20H16Cl2FN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
PubChem CID90765051
Molecular FormulaC20H16Cl2FN3O2
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CC=c2[nH]n(-c3cc(Cl)ccc3Cl)c(=O)c2=C1COc1ccc(F)cc1
InChIInChI=1S/C20H16Cl2FN3O2/c1-25-9-8-16-19(18(25)11-28-14-5-3-13(23)4-6-14)20(27)26(24-16)17-10-12(21)2-7-15(17)22/h2-8,10,24H,9,11H2,1H3
InChIKeyGXMCBZNTUSWTML-UHFFFAOYSA-N
XLogP2.52
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-4-((4-fluorophenoxy)methyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49836408
N-(2-(2-chlorophenyl)-4-methyl-3,6-dioxo-2,3-dihydro-1H-pyrazolo[4,3-c]pyridin-5(6H)-yl)-2-(4-fluorophenoxy)acetamide
CID 49837784
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358031
2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358034
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358086
5-[(4-chlorophenyl)methyl]-4-[(4-fluorophenoxy)methyl]-2-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358103
2-(2-chloro-4-fluorophenyl)-5-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358110
2-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-[(4-fluorophenoxy)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358117
2-(2-chloro-4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358192
N-[3-[[2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 58358204
2-(2-chlorophenyl)-4-[1-(3,4-difluorophenoxy)ethyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58496456
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine
CID 67377526

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (CID 90765051) is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is CN1CC=c2[nH]n(-c3cc(Cl)ccc3Cl)c(=O)c2=C1COc1ccc(F)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is GXMCBZNTUSWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2/c1-25-9-8-16-19(18(25)11-28-14-5-3-13(23)4-6-14)20(27)26(24-16)17-10-12(21)2-7-15(17)22/h2-8,10,24H,9,11H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 420.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 90765051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).