4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one

C21H23Cl2N5O2 — CID 133384531

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1ccc(-n2ncc(N3CCCC(C(O)c4nccn4C)C3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C21H23Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)18(23)17(11-25-28)27-8-3-4-14(12-27)19(29)20-24-7-9-26(20)2/h5-7,9-11,14,19,29H,3-4,8,12H2,1-2H3
InChIKeyOOFSGRJWVGOPAQ-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 133384531) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID133384531
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1ccc(-n2ncc(N3CCCC(C(O)c4nccn4C)C3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C21H23Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)18(23)17(11-25-28)27-8-3-4-14(12-27)19(29)20-24-7-9-26(20)2/h5-7,9-11,14,19,29H,3-4,8,12H2,1-2H3
InChIKeyOOFSGRJWVGOPAQ-UHFFFAOYSA-N
XLogP3.53
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133395840
4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
CID 47983005
[1-(6-chloroquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384540
1-[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78899214
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 133384407
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
[1-(1-chloroisoquinolin-3-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384424
N-[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]butanamide
CID 133354814
4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
CID 133285358
4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-nitrobenzonitrile
CID 133384561
(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124619440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one (CID 133384531) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one is Cc1ccc(-n2ncc(N3CCCC(C(O)c4nccn4C)C3)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is OOFSGRJWVGOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2/c1-13-5-6-15(10-16(13)22)28-21(30)18(23)17(11-25-28)27-8-3-4-14(12-27)19(29)20-24-7-9-26(20)2/h5-7,9-11,14,19,29H,3-4,8,12H2,1-2H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 448.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133384531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).