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

C13H16ClN5O — CID 135217166

IUPACN-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(Cl)nn3cc(C)nc23)C1
InChIInChI=1S/C13H16ClN5O/c1-8-6-19-13(15-8)11(5-12(14)17-19)18-4-3-10(7-18)16-9(2)20/h5-6,10H,3-4,7H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyYTQDWZRHDGJXHX-SNVBAGLBSA-N
MW293.76 g/mol
LogP1.41
Rot. Bonds2

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

N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (PubChem CID 135217166) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
PubChem CID135217166
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(Cl)nn3cc(C)nc23)C1
InChIInChI=1S/C13H16ClN5O/c1-8-6-19-13(15-8)11(5-12(14)17-19)18-4-3-10(7-18)16-9(2)20/h5-6,10H,3-4,7H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyYTQDWZRHDGJXHX-SNVBAGLBSA-N
XLogP1.41
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (CID 135217166) is N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(Cl)nn3cc(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is YTQDWZRHDGJXHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-6-19-13(15-8)11(5-12(14)17-19)18-4-3-10(7-18)16-9(2)20/h5-6,10H,3-4,7H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).