2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one

C30H33N5O — CID 71477502

IUPAC2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cc2ccccn2)cc(-c2ccccc2)nn1CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H33N5O/c36-30-27(22-28-14-7-8-15-31-28)23-29(26-12-5-2-6-13-26)32-35(30)17-9-16-33-18-20-34(21-19-33)24-25-10-3-1-4-11-25/h1-8,10-15,23H,9,16-22,24H2
InChIKeyXVFPRDSAYDYUDF-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.10
Rot. Bonds9

About 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one

2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 71477502) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID71477502
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cc2ccccn2)cc(-c2ccccc2)nn1CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H33N5O/c36-30-27(22-28-14-7-8-15-31-28)23-29(26-12-5-2-6-13-26)32-35(30)17-9-16-33-18-20-34(21-19-33)24-25-10-3-1-4-11-25/h1-8,10-15,23H,9,16-22,24H2
InChIKeyXVFPRDSAYDYUDF-UHFFFAOYSA-N
XLogP4.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one (CID 71477502) is 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one is O=c1c(Cc2ccccn2)cc(-c2ccccc2)nn1CCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is XVFPRDSAYDYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c36-30-27(22-28-14-7-8-15-31-28)23-29(26-12-5-2-6-13-26)32-35(30)17-9-16-33-18-20-34(21-19-33)24-25-10-3-1-4-11-25/h1-8,10-15,23H,9,16-22,24H2.
What are the key properties of 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one?
2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 479.63 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzylpiperazin-1-yl)propyl]-6-phenyl-4-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 71477502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).