4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one

C17H23BrN6O — CID 133307289

IUPAC4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C17H23BrN6O/c1-13(21-14-11-20-22(2)17(25)16(14)18)12-23-7-9-24(10-8-23)15-5-3-4-6-19-15/h3-6,11,13,21H,7-10,12H2,1-2H3
InChIKeyVHGBSJAWRFWYSN-UHFFFAOYSA-N
MW407.32 g/mol
LogP1.56
Rot. Bonds5

About 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one

4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one (PubChem CID 133307289) has the molecular formula C17H23BrN6O and a molecular weight of 407.32 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
PubChem CID133307289
Molecular FormulaC17H23BrN6O
Molecular Weight407.32 g/mol
Exact Mass406.11
IUPAC Name4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C17H23BrN6O/c1-13(21-14-11-20-22(2)17(25)16(14)18)12-23-7-9-24(10-8-23)15-5-3-4-6-19-15/h3-6,11,13,21H,7-10,12H2,1-2H3
InChIKeyVHGBSJAWRFWYSN-UHFFFAOYSA-N
XLogP1.56
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]quinolin-4-amine
CID 133307189
1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine
CID 133307279
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one (CID 133307289) is 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one is CC(CN1CCN(c2ccccn2)CC1)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The InChIKey is VHGBSJAWRFWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6O/c1-13(21-14-11-20-22(2)17(25)16(14)18)12-23-7-9-24(10-8-23)15-5-3-4-6-19-15/h3-6,11,13,21H,7-10,12H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one has a molecular weight of 407.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one is sourced from PubChem (CID 133307289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).