2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine

C21H26N6O — CID 121426244

IUPAC2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc2c1CNCC2
InChIInChI=1S/C21H26N6O/c1-14-19(11-16-4-2-3-15-5-6-23-13-17(15)16)27-21(24-14)18(22)12-20(25-27)26-7-9-28-10-8-26/h2-4,12,23H,5-11,13,22H2,1H3
InChIKeyFRZDANDRHZSWAX-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine

2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 121426244) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID121426244
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc2c1CNCC2
InChIInChI=1S/C21H26N6O/c1-14-19(11-16-4-2-3-15-5-6-23-13-17(15)16)27-21(24-14)18(22)12-20(25-27)26-7-9-28-10-8-26/h2-4,12,23H,5-11,13,22H2,1H3
InChIKeyFRZDANDRHZSWAX-UHFFFAOYSA-N
XLogP1.69
TPSA80.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine (CID 121426244) is 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc2c1CNCC2.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is FRZDANDRHZSWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-19(11-16-4-2-3-15-5-6-23-13-17(15)16)27-21(24-14)18(22)12-20(25-27)26-7-9-28-10-8-26/h2-4,12,23H,5-11,13,22H2,1H3.
What are the key properties of 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine?
2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 378.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121426244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).