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

C19H24N6OS — CID 24959772

IUPAC5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)s1
InChIInChI=1S/C19H24N6OS/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)
InChIKeyDISCTFBWYHSMAO-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.57
Rot. Bonds8

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

5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 24959772) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
PubChem CID24959772
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)s1
InChIInChI=1S/C19H24N6OS/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)
InChIKeyDISCTFBWYHSMAO-UHFFFAOYSA-N
XLogP2.57
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.57
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]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (CID 24959772) is 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide is CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)s1.
What is the InChIKey of 5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is DISCTFBWYHSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/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]thiophene-2-carboxamide?
5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.57, 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]thiophene-2-carboxamide is sourced from PubChem (CID 24959772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).