[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

C18H24N8O — CID 95895658

IUPAC[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCN(C)Cc1nnc([C@H]2CCCN(C(=O)c3cnc4cccnn34)C2)n1C
InChIInChI=1S/C18H24N8O/c1-23(2)12-16-21-22-17(24(16)3)13-6-5-9-25(11-13)18(27)14-10-19-15-7-4-8-20-26(14)15/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyRRSAUYASJNQOHE-ZDUSSCGKSA-N
MW368.45 g/mol
LogP0.94
Rot. Bonds4

About [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (PubChem CID 95895658) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
PubChem CID95895658
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCN(C)Cc1nnc([C@H]2CCCN(C(=O)c3cnc4cccnn34)C2)n1C
InChIInChI=1S/C18H24N8O/c1-23(2)12-16-21-22-17(24(16)3)13-6-5-9-25(11-13)18(27)14-10-19-15-7-4-8-20-26(14)15/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyRRSAUYASJNQOHE-ZDUSSCGKSA-N
XLogP0.94
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone with MolForge

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Related Compounds

6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155523586
N-(3-cyano-1-methylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505846
Irak4-IN-17
CID 141505851
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505852
6-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505855
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 162663196
N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162664038
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162666277
6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162666349
6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162669306
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162674223

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The IUPAC name of [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (CID 95895658) is [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3cnc4cccnn34)C2)n1C.
What is the InChIKey of [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The InChIKey is RRSAUYASJNQOHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N8O/c1-23(2)12-16-21-22-17(24(16)3)13-6-5-9-25(11-13)18(27)14-10-19-15-7-4-8-20-26(14)15/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone has a molecular weight of 368.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is sourced from PubChem (CID 95895658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).