6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one

C18H22N6OS — CID 15718352

IUPAC6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one
SMILESO=c1c2sccc2cnn1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6OS/c25-17-16-15(4-13-26-16)14-21-24(17)8-2-1-7-22-9-11-23(12-10-22)18-19-5-3-6-20-18/h3-6,13-14H,1-2,7-12H2
InChIKeyBWCAYPLCSJHZBK-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.85
Rot. Bonds6

About 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one

6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one (PubChem CID 15718352) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one
PubChem CID15718352
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one
SMILESO=c1c2sccc2cnn1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6OS/c25-17-16-15(4-13-26-16)14-21-24(17)8-2-1-7-22-9-11-23(12-10-22)18-19-5-3-6-20-18/h3-6,13-14H,1-2,7-12H2
InChIKeyBWCAYPLCSJHZBK-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
CID 20876655
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
1,1-dioxo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881143
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
CID 14856172
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 56989430
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.0]heptane-2,4-dione;hydrochloride
CID 23315265
but-2-enedioic acid;5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one
CID 67755556
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one
CID 6620003
4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide
CID 46545559
(1S,2R,6S,7R,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 21124263

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one (CID 15718352) is 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one is O=c1c2sccc2cnn1CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one?
The InChIKey is BWCAYPLCSJHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c25-17-16-15(4-13-26-16)14-21-24(17)8-2-1-7-22-9-11-23(12-10-22)18-19-5-3-6-20-18/h3-6,13-14H,1-2,7-12H2.
What are the key properties of 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one?
6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one has a molecular weight of 370.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 15718352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).