[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone

C26H30N4O2 — CID 177376166

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone
SMILESCC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)20-6-10-22(11-7-20)32-21-8-4-19(5-9-21)25(31)30-16-14-18(15-17-30)23-12-13-24(27)29-28-23/h4-13,18H,14-17H2,1-3H3,(H2,27,29)
InChIKeyCTPXUBJHFXJSMB-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.17
Rot. Bonds4

About [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone (PubChem CID 177376166) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone
PubChem CID177376166
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone
SMILESCC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)20-6-10-22(11-7-20)32-21-8-4-19(5-9-21)25(31)30-16-14-18(15-17-30)23-12-13-24(27)29-28-23/h4-13,18H,14-17H2,1-3H3,(H2,27,29)
InChIKeyCTPXUBJHFXJSMB-UHFFFAOYSA-N
XLogP5.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone with MolForge

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Related Compounds

4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone
CID 138377580
(4-Methoxyphenyl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53616528
(2-Fluoro-4-methoxyphenyl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53617450
3-fluoro-4-methoxy-N-(1-(6-(2-methoxyphenyl)pyridazin-3-yl)piperidin-4-yl)benzamide
CID 71793960
N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide
CID 139236209
4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propylbenzamide
CID 139236210
4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
CID 139236211
N-(6-{4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl}pyridazin-3-yl)benzamide
CID 30859892
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
4-butoxy-N-(2-((6-methylpyridazin-3-yl)amino)ethyl)benzamide
CID 44118017
4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134801976

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone (CID 177376166) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone is CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2)cc1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone?
The InChIKey is CTPXUBJHFXJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(2,3)20-6-10-22(11-7-20)32-21-8-4-19(5-9-21)25(31)30-16-14-18(15-17-30)23-12-13-24(27)29-28-23/h4-13,18H,14-17H2,1-3H3,(H2,27,29).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone has a molecular weight of 430.55 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-tert-butylphenoxy)phenyl]methanone is sourced from PubChem (CID 177376166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).