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

C19H19ClFN5O2 — CID 138484295

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(F)c1ccccc1Cn1[nH]c(=O)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClFN5O2/c1-11(21)13-5-3-2-4-12(13)9-26-15-6-7-25(10-14(15)18(27)24-26)16-8-22-23-19(28)17(16)20/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,28)(H,24,27)
InChIKeyHHIORDYXWDBLGS-UHFFFAOYSA-N
MW403.85 g/mol
LogP2.55
Rot. Bonds4

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

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 138484295) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID138484295
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(F)c1ccccc1Cn1[nH]c(=O)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClFN5O2/c1-11(21)13-5-3-2-4-12(13)9-26-15-6-7-25(10-14(15)18(27)24-26)16-8-22-23-19(28)17(16)20/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,28)(H,24,27)
InChIKeyHHIORDYXWDBLGS-UHFFFAOYSA-N
XLogP2.55
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

CID 138472351
CID 138472351
CID 138483781
CID 138483781
CID 168273740
CID 168273740
CID 168295945
CID 168295945
CID 138471524
CID 138471524
CID 138471528
CID 138471528
CID 138471564
CID 138471564
CID 138471577
CID 138471577
CID 138471646
CID 138471646
CID 138471709
CID 138471709
CID 138471710
CID 138471710
CID 138471713
CID 138471713

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[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]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 138484295) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[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]-2,4,6,7-tetrahydropyrazolo[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]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CC(F)c1ccccc1Cn1[nH]c(=O)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is HHIORDYXWDBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-11(21)13-5-3-2-4-12(13)9-26-15-6-7-25(10-14(15)18(27)24-26)16-8-22-23-19(28)17(16)20/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(1-fluoroethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 403.85 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138484295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).