oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C18H22N6O2 — CID 122347425

IUPACoxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c25-18(14-6-12-26-13-14)24-10-8-23(9-11-24)17-5-4-16(21-22-17)20-15-3-1-2-7-19-15/h1-5,7,14H,6,8-13H2,(H,19,20,21)
InChIKeyPBMFKFZIMNCUAF-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.30
Rot. Bonds4

About oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347425) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347425
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Nameoxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c25-18(14-6-12-26-13-14)24-10-8-23(9-11-24)17-5-4-16(21-22-17)20-15-3-1-2-7-19-15/h1-5,7,14H,6,8-13H2,(H,19,20,21)
InChIKeyPBMFKFZIMNCUAF-UHFFFAOYSA-N
XLogP1.30
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122346913
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064999
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122336726
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347473

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347425) is oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(C1CCOC1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is PBMFKFZIMNCUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-18(14-6-12-26-13-14)24-10-8-23(9-11-24)17-5-4-16(21-22-17)20-15-3-1-2-7-19-15/h1-5,7,14H,6,8-13H2,(H,19,20,21).
What are the key properties of oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).