N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C17H17F3N6OS — CID 71526134

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnc3ccc(N4CCCC4C(F)(F)F)nn23)sc1C
InChIInChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)23-15(27)11-8-21-13-5-6-14(24-26(11)13)25-7-3-4-12(25)17(18,19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,22,23,27)
InChIKeyRZDGQFZNBUWDLJ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.59
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71526134) has the molecular formula C17H17F3N6OS and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71526134
Molecular FormulaC17H17F3N6OS
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnc3ccc(N4CCCC4C(F)(F)F)nn23)sc1C
InChIInChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)23-15(27)11-8-21-13-5-6-14(24-26(11)13)25-7-3-4-12(25)17(18,19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,22,23,27)
InChIKeyRZDGQFZNBUWDLJ-UHFFFAOYSA-N
XLogP3.59
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 56741061
(S)-N-(4,5-dimethylthiazol-2-yl)-5-(2-(trifluoromethyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71525333
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526585
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098289
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098767
5-[1-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyrrolidin-1-ium-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89515510
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89526819
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89527046
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 117665261
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117718852
N-(2,6-dimethylpyrimidin-4-yl)-6-(3-fluoropyrrolidin-1-yl)-1-[[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-methyl-1,3-thiazol-5-yl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123970832
N-(4,5-diethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 145564913

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 71526134) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc(NC(=O)c2cnc3ccc(N4CCCC4C(F)(F)F)nn23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RZDGQFZNBUWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)23-15(27)11-8-21-13-5-6-14(24-26(11)13)25-7-3-4-12(25)17(18,19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,22,23,27).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71526134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).