2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one

C22H22ClN5O2 — CID 133278022

IUPAC2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one
SMILESO=C(c1ccncc1)N1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H22ClN5O2/c23-20-19(14-25-28(22(20)30)15-16-4-2-1-3-5-16)26-18-8-12-27(13-9-18)21(29)17-6-10-24-11-7-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2
InChIKeyWQCOCMYYAPSGTO-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.06
Rot. Bonds5

About 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one

2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one (PubChem CID 133278022) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one
PubChem CID133278022
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one
SMILESO=C(c1ccncc1)N1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H22ClN5O2/c23-20-19(14-25-28(22(20)30)15-16-4-2-1-3-5-16)26-18-8-12-27(13-9-18)21(29)17-6-10-24-11-7-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2
InChIKeyWQCOCMYYAPSGTO-UHFFFAOYSA-N
XLogP3.06
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]pyridazin-3-one
CID 133330810
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
2-benzyl-4-ethyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115552
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 60505824
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 49430103
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one (CID 133278022) is 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one is O=C(c1ccncc1)N1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one?
The InChIKey is WQCOCMYYAPSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-20-19(14-25-28(22(20)30)15-16-4-2-1-3-5-16)26-18-8-12-27(13-9-18)21(29)17-6-10-24-11-7-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2.
What are the key properties of 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one?
2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one has a molecular weight of 423.90 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one is sourced from PubChem (CID 133278022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).