4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one

C20H15ClF2N4O2 — CID 133296397

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
SMILESO=C1C(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CCN1c1ccccc1
InChIInChI=1S/C20H15ClF2N4O2/c21-18-16(11-24-27(20(18)29)17-7-6-12(22)10-14(17)23)25-15-8-9-26(19(15)28)13-4-2-1-3-5-13/h1-7,10-11,15,25H,8-9H2
InChIKeyYQZPHWOFCPAMRQ-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.38
Rot. Bonds4

About 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 133296397) has the molecular formula C20H15ClF2N4O2 and a molecular weight of 416.82 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID133296397
Molecular FormulaC20H15ClF2N4O2
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
SMILESO=C1C(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CCN1c1ccccc1
InChIInChI=1S/C20H15ClF2N4O2/c21-18-16(11-24-27(20(18)29)17-7-6-12(22)10-14(17)23)25-15-8-9-26(19(15)28)13-4-2-1-3-5-13/h1-7,10-11,15,25H,8-9H2
InChIKeyYQZPHWOFCPAMRQ-UHFFFAOYSA-N
XLogP3.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one (CID 133296397) is 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one is O=C1C(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CCN1c1ccccc1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is YQZPHWOFCPAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O2/c21-18-16(11-24-27(20(18)29)17-7-6-12(22)10-14(17)23)25-15-8-9-26(19(15)28)13-4-2-1-3-5-13/h1-7,10-11,15,25H,8-9H2.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 416.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 133296397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).