4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C22H28N6O — CID 24959409

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C22H28N6O/c1-26(2)12-13-27(3)22(29)18-8-6-17(7-9-18)19-15-24-21-11-10-20(25-28(19)21)23-14-16-4-5-16/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,23,25)
InChIKeyBYOPCIIIMROPRL-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.85
Rot. Bonds8

About 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 24959409) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID24959409
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C22H28N6O/c1-26(2)12-13-27(3)22(29)18-8-6-17(7-9-18)19-15-24-21-11-10-20(25-28(19)21)23-14-16-4-5-16/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,23,25)
InChIKeyBYOPCIIIMROPRL-UHFFFAOYSA-N
XLogP2.85
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 24959409) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is BYOPCIIIMROPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-26(2)12-13-27(3)22(29)18-8-6-17(7-9-18)19-15-24-21-11-10-20(25-28(19)21)23-14-16-4-5-16/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,23,25).
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 392.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 24959409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).