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

C24H32N6O — CID 53358297

IUPACN-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cc1
InChIInChI=1S/C24H32N6O/c1-17(2)10-13-25-24(31)19-6-4-18(5-7-19)21-16-26-23-9-8-22(28-30(21)23)27-20-11-14-29(3)15-12-20/h4-9,16-17,20H,10-15H2,1-3H3,(H,25,31)(H,27,28)
InChIKeyCKYHQYXPPTWLPV-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.68
Rot. Bonds7

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

N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 53358297) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID53358297
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cc1
InChIInChI=1S/C24H32N6O/c1-17(2)10-13-25-24(31)19-6-4-18(5-7-19)21-16-26-23-9-8-22(28-30(21)23)27-20-11-14-29(3)15-12-20/h4-9,16-17,20H,10-15H2,1-3H3,(H,25,31)(H,27,28)
InChIKeyCKYHQYXPPTWLPV-UHFFFAOYSA-N
XLogP3.68
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 53358297) is N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide is CC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is CKYHQYXPPTWLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17(2)10-13-25-24(31)19-6-4-18(5-7-19)21-16-26-23-9-8-22(28-30(21)23)27-20-11-14-29(3)15-12-20/h4-9,16-17,20H,10-15H2,1-3H3,(H,25,31)(H,27,28).
What are the key properties of N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53358297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).