(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one

C19H28N6O — CID 125157813

IUPAC(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCCCCC1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H28N6O/c1-16(19(26)24-9-4-2-3-5-10-24)22-12-14-23(15-13-22)18-7-6-17-20-8-11-25(17)21-18/h6-8,11,16H,2-5,9-10,12-15H2,1H3/t16-/m0/s1
InChIKeyIRJLKKQXWCMISF-INIZCTEOSA-N
MW356.47 g/mol
LogP1.64
Rot. Bonds3

About (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one

(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one (PubChem CID 125157813) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
PubChem CID125157813
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCCCCC1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H28N6O/c1-16(19(26)24-9-4-2-3-5-10-24)22-12-14-23(15-13-22)18-7-6-17-20-8-11-25(17)21-18/h6-8,11,16H,2-5,9-10,12-15H2,1H3/t16-/m0/s1
InChIKeyIRJLKKQXWCMISF-INIZCTEOSA-N
XLogP1.64
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133419570
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 126432065
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 134310595
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310574
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one (CID 125157813) is (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one is C[C@@H](C(=O)N1CCCCCC1)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one?
The InChIKey is IRJLKKQXWCMISF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-16(19(26)24-9-4-2-3-5-10-24)22-12-14-23(15-13-22)18-7-6-17-20-8-11-25(17)21-18/h6-8,11,16H,2-5,9-10,12-15H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one?
(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 125157813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).