[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone

C18H22N6O2 — CID 122335131

IUPAC[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c25-18(15-3-1-2-6-19-15)24-9-7-22(8-10-24)16-4-5-17(21-20-16)23-11-13-26-14-12-23/h1-6H,7-14H2
InChIKeyFUMOOSGPBXGPSY-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.67
Rot. Bonds3

About [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 122335131) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID122335131
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c25-18(15-3-1-2-6-19-15)24-9-7-22(8-10-24)16-4-5-17(21-20-16)23-11-13-26-14-12-23/h1-6H,7-14H2
InChIKeyFUMOOSGPBXGPSY-UHFFFAOYSA-N
XLogP0.67
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6-morpholin-4-ylpyridazin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121028249
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114667
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220

Frequently Asked Questions

What is the IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 122335131) is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FUMOOSGPBXGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-18(15-3-1-2-6-19-15)24-9-7-22(8-10-24)16-4-5-17(21-20-16)23-11-13-26-14-12-23/h1-6H,7-14H2.
What are the key properties of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 122335131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).