N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C17H20N6OS — CID 135217171

IUPACN-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1
InChIInChI=1S/C17H20N6OS/c1-10-8-14(22-6-4-13(9-22)20-12(3)24)16-19-11(2)15(23(16)21-10)17-18-5-7-25-17/h5,7-8,13H,4,6,9H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyMOVIJXGVJTVNAV-CYBMUJFWSA-N
MW356.46 g/mol
LogP2.18
Rot. Bonds3

About N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135217171) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
PubChem CID135217171
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1
InChIInChI=1S/C17H20N6OS/c1-10-8-14(22-6-4-13(9-22)20-12(3)24)16-19-11(2)15(23(16)21-10)17-18-5-7-25-17/h5,7-8,13H,4,6,9H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyMOVIJXGVJTVNAV-CYBMUJFWSA-N
XLogP2.18
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 135217171) is N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is MOVIJXGVJTVNAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10-8-14(22-6-4-13(9-22)20-12(3)24)16-19-11(2)15(23(16)21-10)17-18-5-7-25-17/h5,7-8,13H,4,6,9H2,1-3H3,(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 356.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).