methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate

C20H24N6O2 — CID 53358644

IUPACmethyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)c1
InChIInChI=1S/C20H24N6O2/c1-25-10-8-15(9-11-25)22-18-6-7-19-21-13-17(26(19)24-18)14-4-3-5-16(12-14)23-20(27)28-2/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyVRORCRGRJQYALG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.08
Rot. Bonds4

About methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate

methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate (PubChem CID 53358644) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate
PubChem CID53358644
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Namemethyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)c1
InChIInChI=1S/C20H24N6O2/c1-25-10-8-15(9-11-25)22-18-6-7-19-21-13-17(26(19)24-18)14-4-3-5-16(12-14)23-20(27)28-2/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyVRORCRGRJQYALG-UHFFFAOYSA-N
XLogP3.08
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate (CID 53358644) is methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate is COC(=O)Nc1cccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)c1.
What is the InChIKey of methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate?
The InChIKey is VRORCRGRJQYALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-10-8-15(9-11-25)22-18-6-7-19-21-13-17(26(19)24-18)14-4-3-5-16(12-14)23-20(27)28-2/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,24)(H,23,27).
What are the key properties of methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate?
methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate has a molecular weight of 380.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate is sourced from PubChem (CID 53358644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).