N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide

C23H26N4O — CID 57406711

IUPACN-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2cn3nc(C4=CCCC4)ccc3n2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C23H26N4O/c1-15-9-10-17(13-19(15)25-22(28)23(2,3)4)20-14-27-21(24-20)12-11-18(26-27)16-7-5-6-8-16/h7,9-14H,5-6,8H2,1-4H3,(H,25,28)
InChIKeyXLHMRKDRIBJBLS-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.26
Rot. Bonds3

About N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 57406711) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID57406711
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2cn3nc(C4=CCCC4)ccc3n2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C23H26N4O/c1-15-9-10-17(13-19(15)25-22(28)23(2,3)4)20-14-27-21(24-20)12-11-18(26-27)16-7-5-6-8-16/h7,9-14H,5-6,8H2,1-4H3,(H,25,28)
InChIKeyXLHMRKDRIBJBLS-UHFFFAOYSA-N
XLogP5.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide (CID 57406711) is N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(-c2cn3nc(C4=CCCC4)ccc3n2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is XLHMRKDRIBJBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-9-10-17(13-19(15)25-22(28)23(2,3)4)20-14-27-21(24-20)12-11-18(26-27)16-7-5-6-8-16/h7,9-14H,5-6,8H2,1-4H3,(H,25,28).
What are the key properties of N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 374.49 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57406711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).