[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone

C24H25N5O2 — CID 139416326

IUPAC[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C5CC5)cc4)cc3)CC2)nn1
InChIInChI=1S/C24H25N5O2/c25-22-11-12-23(27-26-22)28-13-15-29(16-14-28)24(30)19-5-9-21(10-6-19)31-20-7-3-18(4-8-20)17-1-2-17/h3-12,17H,1-2,13-16H2,(H2,25,26)
InChIKeyULQUGTHXIKVBQM-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.69
Rot. Bonds5

About [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone

[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone (PubChem CID 139416326) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone
PubChem CID139416326
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C5CC5)cc4)cc3)CC2)nn1
InChIInChI=1S/C24H25N5O2/c25-22-11-12-23(27-26-22)28-13-15-29(16-14-28)24(30)19-5-9-21(10-6-19)31-20-7-3-18(4-8-20)17-1-2-17/h3-12,17H,1-2,13-16H2,(H2,25,26)
InChIKeyULQUGTHXIKVBQM-UHFFFAOYSA-N
XLogP3.69
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanone
CID 139416145
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-chlorophenoxy)phenyl]methanone
CID 139416304
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 139416324
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
(4-tert-butylphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053458

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone (CID 139416326) is [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone is Nc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C5CC5)cc4)cc3)CC2)nn1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone?
The InChIKey is ULQUGTHXIKVBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-22-11-12-23(27-26-22)28-13-15-29(16-14-28)24(30)19-5-9-21(10-6-19)31-20-7-3-18(4-8-20)17-1-2-17/h3-12,17H,1-2,13-16H2,(H2,25,26).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone?
[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone is sourced from PubChem (CID 139416326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).