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

C18H21N5OS — CID 135217169

IUPACN-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1
InChIInChI=1S/C18H21N5OS/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyKBAHWLBOZCNRIT-CQSZACIVSA-N
MW355.47 g/mol
LogP2.79
Rot. Bonds3

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

N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (PubChem CID 135217169) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
PubChem CID135217169
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1
InChIInChI=1S/C18H21N5OS/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyKBAHWLBOZCNRIT-CQSZACIVSA-N
XLogP2.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (CID 135217169) is N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KBAHWLBOZCNRIT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).