4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

C22H23ClN4O — CID 168963604

IUPAC4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccn2)cnn1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H23ClN4O/c23-21-20(25-14-12-18-7-3-4-13-24-18)15-26-27(22(21)28)19-10-8-17(9-11-19)16-5-1-2-6-16/h3-4,7-11,13,15-16,25H,1-2,5-6,12,14H2
InChIKeyBNYYPOIWLABYJL-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.59
Rot. Bonds6

About 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (PubChem CID 168963604) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
PubChem CID168963604
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccn2)cnn1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H23ClN4O/c23-21-20(25-14-12-18-7-3-4-13-24-18)15-26-27(22(21)28)19-10-8-17(9-11-19)16-5-1-2-6-16/h3-4,7-11,13,15-16,25H,1-2,5-6,12,14H2
InChIKeyBNYYPOIWLABYJL-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-cyclohexylphenyl)-5-(methylamino)pyridazin-3-one;oxane
CID 168963064
4-chloro-2-[4-(1,1-dioxothian-4-yl)phenyl]-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168962902
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
CID 9113184
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-quinolin-7-ylpyridazin-3-one
CID 168964166
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
CID 114431069
4-chloro-5-(oxan-3-ylmethylamino)-2-phenylpyridazin-3-one;2-cyclopropyloxolane
CID 168964040
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (CID 168963604) is 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is O=c1c(Cl)c(NCCc2ccccn2)cnn1-c1ccc(C2CCCC2)cc1.
What is the InChIKey of 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The InChIKey is BNYYPOIWLABYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-21-20(25-14-12-18-7-3-4-13-24-18)15-26-27(22(21)28)19-10-8-17(9-11-19)16-5-1-2-6-16/h3-4,7-11,13,15-16,25H,1-2,5-6,12,14H2.
What are the key properties of 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one has a molecular weight of 394.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 168963604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).