oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C19H24N6O2 — CID 122347928

IUPACoxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C19H24N6O2/c26-19(15-5-13-27-14-6-15)25-11-9-24(10-12-25)18-2-1-17(22-23-18)21-16-3-7-20-8-4-16/h1-4,7-8,15H,5-6,9-14H2,(H,20,21,22)
InChIKeyOHFVFDRFPIOUBX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds4

About oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347928) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347928
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Nameoxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C19H24N6O2/c26-19(15-5-13-27-14-6-15)25-11-9-24(10-12-25)18-2-1-17(22-23-18)21-16-3-7-20-8-4-16/h1-4,7-8,15H,5-6,9-14H2,(H,20,21,22)
InChIKeyOHFVFDRFPIOUBX-UHFFFAOYSA-N
XLogP1.69
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122346913
1-(4-chlorophenyl)-4-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347893
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
(5-nitrofuran-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347847
4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347844

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347928) is oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(C1CCOCC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is OHFVFDRFPIOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-19(15-5-13-27-14-6-15)25-11-9-24(10-12-25)18-2-1-17(22-23-18)21-16-3-7-20-8-4-16/h1-4,7-8,15H,5-6,9-14H2,(H,20,21,22).
What are the key properties of oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).