[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

C24H31N5O3 — CID 122335188

IUPAC[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31N5O3/c30-23(24(8-16-31-17-9-24)20-4-2-1-3-5-20)29-12-10-27(11-13-29)21-6-7-22(26-25-21)28-14-18-32-19-15-28/h1-7H,8-19H2
InChIKeyHWYBBFCOTQLBMI-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.71
Rot. Bonds4

About [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 122335188) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID122335188
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31N5O3/c30-23(24(8-16-31-17-9-24)20-4-2-1-3-5-20)29-12-10-27(11-13-29)21-6-7-22(26-25-21)28-14-18-32-19-15-28/h1-7H,8-19H2
InChIKeyHWYBBFCOTQLBMI-UHFFFAOYSA-N
XLogP1.71
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122281212
(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347595
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122333244
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
[4-(4-methoxyphenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 47718009
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084

Frequently Asked Questions

What is the IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 122335188) is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is HWYBBFCOTQLBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c30-23(24(8-16-31-17-9-24)20-4-2-1-3-5-20)29-12-10-27(11-13-29)21-6-7-22(26-25-21)28-14-18-32-19-15-28/h1-7H,8-19H2.
What are the key properties of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 437.54 g/mol, XLogP of 1.71, 4 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]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 122335188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).