5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

C22H27N7O — CID 56676913

IUPAC5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cn1
InChIInChI=1S/C22H27N7O/c30-22(23-9-12-28-10-1-2-11-28)18-6-5-17(14-24-18)19-15-26-21-8-7-20(27-29(19)21)25-13-16-3-4-16/h5-8,14-16H,1-4,9-13H2,(H,23,30)(H,25,27)
InChIKeyWWACOKKYOMMTGS-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.44
Rot. Bonds8

About 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 56676913) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID56676913
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cn1
InChIInChI=1S/C22H27N7O/c30-22(23-9-12-28-10-1-2-11-28)18-6-5-17(14-24-18)19-15-26-21-8-7-20(27-29(19)21)25-13-16-3-4-16/h5-8,14-16H,1-4,9-13H2,(H,23,30)(H,25,27)
InChIKeyWWACOKKYOMMTGS-UHFFFAOYSA-N
XLogP2.44
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (CID 56676913) is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCCC1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cn1.
What is the InChIKey of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is WWACOKKYOMMTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c30-22(23-9-12-28-10-1-2-11-28)18-6-5-17(14-24-18)19-15-26-21-8-7-20(27-29(19)21)25-13-16-3-4-16/h5-8,14-16H,1-4,9-13H2,(H,23,30)(H,25,27).
What are the key properties of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56676913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).