3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide

C25H26N6O2 — CID 71729713

IUPAC3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)c1
InChIInChI=1S/C25H26N6O2/c1-26-24(32)19-8-4-6-17(14-19)21-10-11-23-28-16-22(31(23)29-21)18-7-5-9-20(15-18)25(33)27-12-13-30(2)3/h4-11,14-16H,12-13H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyDZKBGQPKRSAYJK-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.71
Rot. Bonds7

About 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide

3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide (PubChem CID 71729713) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
PubChem CID71729713
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)c1
InChIInChI=1S/C25H26N6O2/c1-26-24(32)19-8-4-6-17(14-19)21-10-11-23-28-16-22(31(23)29-21)18-7-5-9-20(15-18)25(33)27-12-13-30(2)3/h4-11,14-16H,12-13H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyDZKBGQPKRSAYJK-UHFFFAOYSA-N
XLogP2.71
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The IUPAC name of 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide (CID 71729713) is 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)c1.
What is the InChIKey of 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
The InChIKey is DZKBGQPKRSAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-26-24(32)19-8-4-6-17(14-19)21-10-11-23-28-16-22(31(23)29-21)18-7-5-9-20(15-18)25(33)27-12-13-30(2)3/h4-11,14-16H,12-13H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide?
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide has a molecular weight of 442.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 71729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).