4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one

C19H20ClF2N5O3 — CID 55832806

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(N1CCOCC1)N1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1
InChIInChI=1S/C19H20ClF2N5O3/c20-17-16(12-23-27(18(17)28)15-2-1-13(21)11-14(15)22)24-3-5-25(6-4-24)19(29)26-7-9-30-10-8-26/h1-2,11-12H,3-10H2
InChIKeyVIWMMYNASOIJIP-UHFFFAOYSA-N
MW439.85 g/mol
LogP1.74
Rot. Bonds2

About 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 55832806) has the molecular formula C19H20ClF2N5O3 and a molecular weight of 439.85 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID55832806
Molecular FormulaC19H20ClF2N5O3
Molecular Weight439.85 g/mol
Exact Mass439.12
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(N1CCOCC1)N1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1
InChIInChI=1S/C19H20ClF2N5O3/c20-17-16(12-23-27(18(17)28)15-2-1-13(21)11-14(15)22)24-3-5-25(6-4-24)19(29)26-7-9-30-10-8-26/h1-2,11-12H,3-10H2
InChIKeyVIWMMYNASOIJIP-UHFFFAOYSA-N
XLogP1.74
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.85
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
CID 55832917
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 56585217
4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
CID 94174563
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
CID 60503924
4-chloro-2-(2,4-difluorophenyl)-5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridazin-3-one
CID 133383428
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
CID 60501220
4-chloro-5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133448732
tert-butyl N-[1-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86777153
5-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 26701139
4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
CID 47983429
4-chloro-2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one
CID 171999903
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 55832806) is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one is O=C(N1CCOCC1)N1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is VIWMMYNASOIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5O3/c20-17-16(12-23-27(18(17)28)15-2-1-13(21)11-14(15)22)24-3-5-25(6-4-24)19(29)26-7-9-30-10-8-26/h1-2,11-12H,3-10H2.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 439.85 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 55832806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).