6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C19H24N6O4S — CID 171552810

IUPAC6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1cn(C)nc1COc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2n1
InChIInChI=1S/C19H24N6O4S/c1-13-10-24(3)22-15(13)12-29-17-5-4-16-20-14(11-25(16)23-17)18(26)21-19(2)6-8-30(27,28)9-7-19/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26)
InChIKeySGICAJRFAUVQJD-UHFFFAOYSA-N
MW432.51 g/mol
LogP1.05
Rot. Bonds5

About 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide

6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 171552810) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID171552810
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1cn(C)nc1COc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2n1
InChIInChI=1S/C19H24N6O4S/c1-13-10-24(3)22-15(13)12-29-17-5-4-16-20-14(11-25(16)23-17)18(26)21-19(2)6-8-30(27,28)9-7-19/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26)
InChIKeySGICAJRFAUVQJD-UHFFFAOYSA-N
XLogP1.05
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 171552645
5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 176912916
6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 71236160
6-ethoxy-N-(2-piperidin-1-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051144
1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
CID 171655386
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553076
3-tert-butyl-1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 136544377
6-ethoxy-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051064
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)-7-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 176911215
5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553222
6-ethoxy-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051087
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94014684

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 171552810) is 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide is Cc1cn(C)nc1COc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2n1.
What is the InChIKey of 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is SGICAJRFAUVQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-13-10-24(3)22-15(13)12-29-17-5-4-16-20-14(11-25(16)23-17)18(26)21-19(2)6-8-30(27,28)9-7-19/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26).
What are the key properties of 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 171552810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).