8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C20H24FN5O2 — CID 25119423

IUPAC8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESNC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
InChIInChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27)
InChIKeyOIRXEJBGBNMAEY-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.42
Rot. Bonds3

About 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 25119423) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID25119423
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESNC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
InChIInChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27)
InChIKeyOIRXEJBGBNMAEY-UHFFFAOYSA-N
XLogP1.42
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 25119423) is 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1.
What is the InChIKey of 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is OIRXEJBGBNMAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27).
What are the key properties of 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 385.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 25119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).