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

C17H23N5O — CID 146045614

IUPACimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2cccnn12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H23N5O/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
InChIKeyOPLMUOITGUMOFB-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.58
Rot. Bonds2

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

imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 146045614) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID146045614
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2cccnn12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H23N5O/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
InChIKeyOPLMUOITGUMOFB-UHFFFAOYSA-N
XLogP1.58
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155540954
6-(Cyclohexylamino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943149
6-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505855
6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162669306
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
US11142526, Example 168
CID 149336681
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162662528
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
[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 97390278

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 146045614) is imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone is 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?
The InChIKey is OPLMUOITGUMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/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.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.58, 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 is sourced from PubChem (CID 146045614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).