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

C20H24N6O — CID 53354757

IUPACN-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)c1
InChIInChI=1S/C20H24N6O/c1-13(27)23-17-4-2-3-14(11-17)18-12-22-20-10-9-19(25-26(18)20)24-16-7-5-15(21)6-8-16/h2-4,9-12,15-16H,5-8,21H2,1H3,(H,23,27)(H,24,25)
InChIKeyFPXHSXLDEYDKTL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.04
Rot. Bonds4

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

N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 53354757) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID53354757
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)c1
InChIInChI=1S/C20H24N6O/c1-13(27)23-17-4-2-3-14(11-17)18-12-22-20-10-9-19(25-26(18)20)24-16-7-5-15(21)6-8-16/h2-4,9-12,15-16H,5-8,21H2,1H3,(H,23,27)(H,24,25)
InChIKeyFPXHSXLDEYDKTL-UHFFFAOYSA-N
XLogP3.04
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 53354757) is N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)c1.
What is the InChIKey of N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is FPXHSXLDEYDKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(27)23-17-4-2-3-14(11-17)18-12-22-20-10-9-19(25-26(18)20)24-16-7-5-15(21)6-8-16/h2-4,9-12,15-16H,5-8,21H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 53354757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).