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

C25H28N6O2 — CID 122347595

IUPAC(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(Nc3cccnc3)nn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H28N6O2/c32-24(25(10-17-33-18-11-25)20-5-2-1-3-6-20)31-15-13-30(14-16-31)23-9-8-22(28-29-23)27-21-7-4-12-26-19-21/h1-9,12,19H,10-11,13-18H2,(H,27,28)
InChIKeyIHOAKMKLCSYTQF-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.01
Rot. Bonds5

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

(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347595) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347595
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(Nc3cccnc3)nn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H28N6O2/c32-24(25(10-17-33-18-11-25)20-5-2-1-3-6-20)31-15-13-30(14-16-31)23-9-8-22(28-29-23)27-21-7-4-12-26-19-21/h1-9,12,19H,10-11,13-18H2,(H,27,28)
InChIKeyIHOAKMKLCSYTQF-UHFFFAOYSA-N
XLogP3.01
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347688
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347640
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913
(1-methyltriazol-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347660
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122281212
(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111887
(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111892

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347595) is (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(N1CCN(c2ccc(Nc3cccnc3)nn2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is IHOAKMKLCSYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c32-24(25(10-17-33-18-11-25)20-5-2-1-3-6-20)31-15-13-30(14-16-31)23-9-8-22(28-29-23)27-21-7-4-12-26-19-21/h1-9,12,19H,10-11,13-18H2,(H,27,28).
What are the key properties of (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 444.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).