4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one

C19H17ClN4O2S — CID 2958911

IUPAC4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H17ClN4O2S/c20-17-15(13-21-24(19(17)26)14-5-2-1-3-6-14)22-8-10-23(11-9-22)18(25)16-7-4-12-27-16/h1-7,12-13H,8-11H2
InChIKeyWOTWQIXDHBTWHL-UHFFFAOYSA-N
MW400.89 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 2958911) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID2958911
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H17ClN4O2S/c20-17-15(13-21-24(19(17)26)14-5-2-1-3-6-14)22-8-10-23(11-9-22)18(25)16-7-4-12-27-16/h1-7,12-13H,8-11H2
InChIKeyWOTWQIXDHBTWHL-UHFFFAOYSA-N
XLogP2.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
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4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
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[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
4-chloro-5-[4-[4-(methylamino)butanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 119687509
4-chloro-5-[4-[4-(3-methylbutoxy)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26702611
1-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]ethane-1,2-dione
CID 154849539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 2958911) is 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one is O=C(c1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is WOTWQIXDHBTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-17-15(13-21-24(19(17)26)14-5-2-1-3-6-14)22-8-10-23(11-9-22)18(25)16-7-4-12-27-16/h1-7,12-13H,8-11H2.
What are the key properties of 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 400.89 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 2958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).