N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C24H26FN5O2 — CID 4061009

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26FN5O2/c25-20-8-4-5-9-22(20)29-16-14-28(15-17-29)13-12-26-23(31)18-30-24(32)11-10-21(27-30)19-6-2-1-3-7-19/h1-11H,12-18H2,(H,26,31)
InChIKeyPVAZRPNFKAKKOH-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.99
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 4061009) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID4061009
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26FN5O2/c25-20-8-4-5-9-22(20)29-16-14-28(15-17-29)13-12-26-23(31)18-30-24(32)11-10-21(27-30)19-6-2-1-3-7-19/h1-11H,12-18H2,(H,26,31)
InChIKeyPVAZRPNFKAKKOH-UHFFFAOYSA-N
XLogP1.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 4061009) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is PVAZRPNFKAKKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-20-8-4-5-9-22(20)29-16-14-28(15-17-29)13-12-26-23(31)18-30-24(32)11-10-21(27-30)19-6-2-1-3-7-19/h1-11H,12-18H2,(H,26,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 4061009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).