2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide

C22H20ClF2N5O2 — CID 31921933

IUPAC2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C22H20ClF2N5O2/c23-21-19(13-26-30(22(21)32)18-4-2-1-3-5-18)29-8-6-28(7-9-29)14-20(31)27-17-11-15(24)10-16(25)12-17/h1-5,10-13H,6-9,14H2,(H,27,31)
InChIKeyYQYZYGYOPODRJX-UHFFFAOYSA-N
MW459.88 g/mol
LogP2.92
Rot. Bonds5

About 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 31921933) has the molecular formula C22H20ClF2N5O2 and a molecular weight of 459.88 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID31921933
Molecular FormulaC22H20ClF2N5O2
Molecular Weight459.88 g/mol
Exact Mass459.13
IUPAC Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C22H20ClF2N5O2/c23-21-19(13-26-30(22(21)32)18-4-2-1-3-5-18)29-8-6-28(7-9-29)14-20(31)27-17-11-15(24)10-16(25)12-17/h1-5,10-13H,6-9,14H2,(H,27,31)
InChIKeyYQYZYGYOPODRJX-UHFFFAOYSA-N
XLogP2.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 31921933) is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide is O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is YQYZYGYOPODRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N5O2/c23-21-19(13-26-30(22(21)32)18-4-2-1-3-5-18)29-8-6-28(7-9-29)14-20(31)27-17-11-15(24)10-16(25)12-17/h1-5,10-13H,6-9,14H2,(H,27,31).
What are the key properties of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 459.88 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 31921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).