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

C15H21N5O — CID 135217263

IUPACN-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(C)c(C)nc23)C1
InChIInChI=1S/C15H21N5O/c1-9-7-14(15-16-10(2)11(3)20(15)18-9)19-6-5-13(8-19)17-12(4)21/h7,13H,5-6,8H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyRXSYOURVKIGBBL-CYBMUJFWSA-N
MW287.37 g/mol
LogP1.37
Rot. Bonds2

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

N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (PubChem CID 135217263) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
PubChem CID135217263
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(C)c(C)nc23)C1
InChIInChI=1S/C15H21N5O/c1-9-7-14(15-16-10(2)11(3)20(15)18-9)19-6-5-13(8-19)17-12(4)21/h7,13H,5-6,8H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyRXSYOURVKIGBBL-CYBMUJFWSA-N
XLogP1.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (CID 135217263) is N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(C)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is RXSYOURVKIGBBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-7-14(15-16-10(2)11(3)20(15)18-9)19-6-5-13(8-19)17-12(4)21/h7,13H,5-6,8H2,1-4H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3,6-trimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).