6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one

C18H18ClN7O — CID 166605274

IUPAC6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3ncc(Cl)cn3)CC2)nn1Cc1ccncc1
InChIInChI=1S/C18H18ClN7O/c19-15-11-21-18(22-12-15)25-9-7-24(8-10-25)16-1-2-17(27)26(23-16)13-14-3-5-20-6-4-14/h1-6,11-12H,7-10,13H2
InChIKeyWCSZLULKHWURNE-UHFFFAOYSA-N
MW383.84 g/mol
LogP1.46
Rot. Bonds4

About 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one

6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one (PubChem CID 166605274) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
PubChem CID166605274
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3ncc(Cl)cn3)CC2)nn1Cc1ccncc1
InChIInChI=1S/C18H18ClN7O/c19-15-11-21-18(22-12-15)25-9-7-24(8-10-25)16-1-2-17(27)26(23-16)13-14-3-5-20-6-4-14/h1-6,11-12H,7-10,13H2
InChIKeyWCSZLULKHWURNE-UHFFFAOYSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350553
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
CID 163350513
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605343
2-[(4-fluorophenyl)methyl]-6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163356906
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559
3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 139029302
2-[(4-fluorophenyl)methyl]-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163356905
2-[(4-fluorophenyl)methyl]-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163357374
5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
CID 50961410
2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
CID 163351993
2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163350619

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one (CID 166605274) is 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one is O=c1ccc(N2CCN(c3ncc(Cl)cn3)CC2)nn1Cc1ccncc1.
What is the InChIKey of 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The InChIKey is WCSZLULKHWURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-15-11-21-18(22-12-15)25-9-7-24(8-10-25)16-1-2-17(27)26(23-16)13-14-3-5-20-6-4-14/h1-6,11-12H,7-10,13H2.
What are the key properties of 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one?
6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one has a molecular weight of 383.84 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 166605274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).