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

C26H29N5O2 — CID 11091509

IUPAC6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C26H29N5O2/c1-33-24-10-5-4-9-23(24)29-19-17-28(18-20-29)14-6-15-31-26(32)12-11-25(27-31)30-16-13-21-7-2-3-8-22(21)30/h2-5,7-13,16H,6,14-15,17-20H2,1H3
InChIKeyYSCMWEZTXQBYPQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.41
Rot. Bonds7

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

6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (PubChem CID 11091509) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
PubChem CID11091509
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C26H29N5O2/c1-33-24-10-5-4-9-23(24)29-19-17-28(18-20-29)14-6-15-31-26(32)12-11-25(27-31)30-16-13-21-7-2-3-8-22(21)30/h2-5,7-13,16H,6,14-15,17-20H2,1H3
InChIKeyYSCMWEZTXQBYPQ-UHFFFAOYSA-N
XLogP3.41
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (CID 11091509) is 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The InChIKey is YSCMWEZTXQBYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-33-24-10-5-4-9-23(24)29-19-17-28(18-20-29)14-6-15-31-26(32)12-11-25(27-31)30-16-13-21-7-2-3-8-22(21)30/h2-5,7-13,16H,6,14-15,17-20H2,1H3.
What are the key properties of 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one has a molecular weight of 443.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indol-1-yl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is sourced from PubChem (CID 11091509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).