N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide

C22H27N5OS — CID 66693997

IUPACN-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCSc1cc(NCC(C)C)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
InChIInChI=1S/C22H27N5OS/c1-13(2)11-23-18-10-20(29-4)26-27-19(12-24-21(18)27)15-5-8-17(14(3)9-15)22(28)25-16-6-7-16/h5,8-10,12-13,16,23H,6-7,11H2,1-4H3,(H,25,28)
InChIKeyUCSDECHVQRMBBV-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.39
Rot. Bonds7

About N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66693997) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66693997
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCSc1cc(NCC(C)C)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
InChIInChI=1S/C22H27N5OS/c1-13(2)11-23-18-10-20(29-4)26-27-19(12-24-21(18)27)15-5-8-17(14(3)9-15)22(28)25-16-6-7-16/h5,8-10,12-13,16,23H,6-7,11H2,1-4H3,(H,25,28)
InChIKeyUCSDECHVQRMBBV-UHFFFAOYSA-N
XLogP4.39
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66693997) is N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide is CSc1cc(NCC(C)C)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is UCSDECHVQRMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-13(2)11-23-18-10-20(29-4)26-27-19(12-24-21(18)27)15-5-8-17(14(3)9-15)22(28)25-16-6-7-16/h5,8-10,12-13,16,23H,6-7,11H2,1-4H3,(H,25,28).
What are the key properties of N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 409.56 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66693997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).