1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone

C19H25N5O — CID 157200827

IUPAC1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)cn3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-14(2)16-5-6-17(20-13-16)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyKXBSRJDEAGXDGS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds4

About 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone (PubChem CID 157200827) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
PubChem CID157200827
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)cn3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-14(2)16-5-6-17(20-13-16)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyKXBSRJDEAGXDGS-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015122
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015130
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
1-[(3aS,6aR)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161222245
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
1-[4-[6-(aminomethyl)pyridazin-3-yl]piperazin-1-yl]-2-[4-(1,1,1-trifluoropropan-2-yl)phenyl]ethanone
CID 153436126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone (CID 157200827) is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone is Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)cn3)CC2)nn1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone?
The InChIKey is KXBSRJDEAGXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(2)16-5-6-17(20-13-16)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone?
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 157200827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).