(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

C23H31N5O2 — CID 91968957

IUPAC(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-10-8-26(9-11-28)20-16-21(25-24-17-20)27-12-14-30-15-13-27/h4-7,16-17H,8-15H2,1-3H3
InChIKeyPEFOJZLBLNYAFI-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.57
Rot. Bonds3

About (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (PubChem CID 91968957) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
PubChem CID91968957
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-10-8-26(9-11-28)20-16-21(25-24-17-20)27-12-14-30-15-13-27/h4-7,16-17H,8-15H2,1-3H3
InChIKeyPEFOJZLBLNYAFI-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355311
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122355330

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (CID 91968957) is (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PEFOJZLBLNYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-10-8-26(9-11-28)20-16-21(25-24-17-20)27-12-14-30-15-13-27/h4-7,16-17H,8-15H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91968957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).