4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide

C24H32N6O — CID 53358299

IUPAC4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cc1
InChIInChI=1S/C24H32N6O/c1-16(2)13-14-26-24(31)18-5-3-17(4-6-18)21-15-27-23-12-11-22(29-30(21)23)28-20-9-7-19(25)8-10-20/h3-6,11-12,15-16,19-20H,7-10,13-14,25H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyLYIGWUGNKUAXRL-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.85
Rot. Bonds7

About 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide

4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide (PubChem CID 53358299) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide
PubChem CID53358299
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cc1
InChIInChI=1S/C24H32N6O/c1-16(2)13-14-26-24(31)18-5-3-17(4-6-18)21-15-27-23-12-11-22(29-30(21)23)28-20-9-7-19(25)8-10-20/h3-6,11-12,15-16,19-20H,7-10,13-14,25H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyLYIGWUGNKUAXRL-UHFFFAOYSA-N
XLogP3.85
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide (CID 53358299) is 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cc1.
What is the InChIKey of 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The InChIKey is LYIGWUGNKUAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-16(2)13-14-26-24(31)18-5-3-17(4-6-18)21-15-27-23-12-11-22(29-30(21)23)28-20-9-7-19(25)8-10-20/h3-6,11-12,15-16,19-20H,7-10,13-14,25H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 53358299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).