1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide

C13H17N5O — CID 126857228

IUPAC1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ccc3nccn3n2)C1
InChIInChI=1S/C13H17N5O/c1-16(2)13(19)10-5-7-17(9-10)12-4-3-11-14-6-8-18(11)15-12/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyMXPNATJUEKWKFP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.64
Rot. Bonds2

About 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide

1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 126857228) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID126857228
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ccc3nccn3n2)C1
InChIInChI=1S/C13H17N5O/c1-16(2)13(19)10-5-7-17(9-10)12-4-3-11-14-6-8-18(11)15-12/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyMXPNATJUEKWKFP-UHFFFAOYSA-N
XLogP0.64
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide (CID 126857228) is 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1CCN(c2ccc3nccn3n2)C1.
What is the InChIKey of 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MXPNATJUEKWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-16(2)13(19)10-5-7-17(9-10)12-4-3-11-14-6-8-18(11)15-12/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide?
1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126857228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).