5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

C19H24N6O2 — CID 56663216

IUPAC5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)o1
InChIInChI=1S/C19H24N6O2/c1-24(2)10-9-20-19(26)16-6-5-15(27-16)14-12-22-18-8-7-17(23-25(14)18)21-11-13-3-4-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyFLXPQNVJEUOWPX-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.10
Rot. Bonds8

About 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (PubChem CID 56663216) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
PubChem CID56663216
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)o1
InChIInChI=1S/C19H24N6O2/c1-24(2)10-9-20-19(26)16-6-5-15(27-16)14-12-22-18-8-7-17(23-25(14)18)21-11-13-3-4-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyFLXPQNVJEUOWPX-UHFFFAOYSA-N
XLogP2.10
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.10
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-(dimethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (CID 56663216) is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)o1.
What is the InChIKey of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The InChIKey is FLXPQNVJEUOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-24(2)10-9-20-19(26)16-6-5-15(27-16)14-12-22-18-8-7-17(23-25(14)18)21-11-13-3-4-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,23).
What are the key properties of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.10, 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-(dimethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 56663216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).