5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

C20H21ClFN5O2 — CID 138484296

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC(F)c1ccccc1Cn1c2c(c(=O)n1C)CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C20H21ClFN5O2/c1-12(22)14-6-4-3-5-13(14)10-27-16-7-8-26(11-15(16)20(29)25(27)2)17-9-23-24-19(28)18(17)21/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyTVKUVRNZNGIXKG-UHFFFAOYSA-N
MW417.87 g/mol
LogP2.57
Rot. Bonds4

About 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138484296) has the molecular formula C20H21ClFN5O2 and a molecular weight of 417.87 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID138484296
Molecular FormulaC20H21ClFN5O2
Molecular Weight417.87 g/mol
Exact Mass417.14
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC(F)c1ccccc1Cn1c2c(c(=O)n1C)CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C20H21ClFN5O2/c1-12(22)14-6-4-3-5-13(14)10-27-16-7-8-26(11-15(16)20(29)25(27)2)17-9-23-24-19(28)18(17)21/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyTVKUVRNZNGIXKG-UHFFFAOYSA-N
XLogP2.57
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (CID 138484296) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is CC(F)c1ccccc1Cn1c2c(c(=O)n1C)CN(c1cn[nH]c(=O)c1Cl)CC2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is TVKUVRNZNGIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O2/c1-12(22)14-6-4-3-5-13(14)10-27-16-7-8-26(11-15(16)20(29)25(27)2)17-9-23-24-19(28)18(17)21/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,24,28).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 417.87 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138484296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).