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

C18H16ClF2N5OS — CID 60503924

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCc1csc(N2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)n1
InChIInChI=1S/C18H16ClF2N5OS/c1-11-10-28-18(23-11)25-6-4-24(5-7-25)15-9-22-26(17(27)16(15)19)14-3-2-12(20)8-13(14)21/h2-3,8-10H,4-7H2,1H3
InChIKeyYJQLKTCSBUGMRX-UHFFFAOYSA-N
MW423.88 g/mol
LogP3.26
Rot. Bonds3

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

4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 60503924) has the molecular formula C18H16ClF2N5OS and a molecular weight of 423.88 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID60503924
Molecular FormulaC18H16ClF2N5OS
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCc1csc(N2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)n1
InChIInChI=1S/C18H16ClF2N5OS/c1-11-10-28-18(23-11)25-6-4-24(5-7-25)15-9-22-26(17(27)16(15)19)14-3-2-12(20)8-13(14)21/h2-3,8-10H,4-7H2,1H3
InChIKeyYJQLKTCSBUGMRX-UHFFFAOYSA-N
XLogP3.26
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 55832806
4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
CID 94174563
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-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridazin-3-one
CID 133383428
4-chloro-5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133448732
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
CID 60501220
4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
CID 47983429
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
tert-butyl N-[1-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86777153
N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47080331
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one (CID 60503924) is 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one is Cc1csc(N2CCN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)n1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is YJQLKTCSBUGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5OS/c1-11-10-28-18(23-11)25-6-4-24(5-7-25)15-9-22-26(17(27)16(15)19)14-3-2-12(20)8-13(14)21/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 423.88 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 60503924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).