imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride

C17H25Cl2N5O — CID 154919749

IUPACimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnc2cccnn12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H23N5O.2ClH/c23-17(15-12-19-16-2-1-7-20-22(15)16)21-10-5-14(6-11-21)13-3-8-18-9-4-13;;/h1-2,7,12-14,18H,3-6,8-11H2;2*1H
InChIKeyKWIXRSLPPPBDCC-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.42
Rot. Bonds2

About imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride

imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 154919749) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID154919749
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnc2cccnn12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H23N5O.2ClH/c23-17(15-12-19-16-2-1-7-20-22(15)16)21-10-5-14(6-11-21)13-3-8-18-9-4-13;;/h1-2,7,12-14,18H,3-6,8-11H2;2*1H
InChIKeyKWIXRSLPPPBDCC-UHFFFAOYSA-N
XLogP2.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Cyclohexylamino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943149
6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162676578
N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162666365
(6S,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074602
(6R,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074603
(5-Methylimidazo[1,2-a]pyridin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 53609593
[3-(2-Methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110242511
ethyl 4-({(1R*,2S*)-2-[(imidazo[1,2-b]pyridazin-3-ylcarbonyl)amino]cyclobutyl}amino)-1-piperidinecarboxylate
CID 56916207
N-{2-Methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}-1-(pyrazine-2-carbonyl)piperidin-4-amine
CID 53190831
2-cyclohexyl-N-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)acetamide
CID 75386616
2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
CID 95895496
5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 129357703

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride (CID 154919749) is imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1cnc2cccnn12)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is KWIXRSLPPPBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c23-17(15-12-19-16-2-1-7-20-22(15)16)21-10-5-14(6-11-21)13-3-8-18-9-4-13;;/h1-2,7,12-14,18H,3-6,8-11H2;2*1H.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride?
imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 154919749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).