6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one

C21H26N6O2 — CID 10927333

IUPAC6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
InChIKeyNAJTXKCCLJQGEQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.65
Rot. Bonds7

About 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one

6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (PubChem CID 10927333) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
PubChem CID10927333
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
InChIKeyNAJTXKCCLJQGEQ-UHFFFAOYSA-N
XLogP1.65
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (CID 10927333) is 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCn2nc(-n3ccnc3)ccc2=O)CC1.
What is the InChIKey of 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The InChIKey is NAJTXKCCLJQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3.
What are the key properties of 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one has a molecular weight of 394.48 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is sourced from PubChem (CID 10927333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).