N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

C28H38FN5O3 — CID 121426322

IUPACN-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1COC1CCCCO1
InChIInChI=1S/C28H38FN5O3/c1-19-24(16-20-8-7-9-22(29)21(20)18-37-26-10-5-6-13-36-26)34-27(30-19)23(31-28(2,3)4)17-25(32-34)33-11-14-35-15-12-33/h7-9,17,26,31H,5-6,10-16,18H2,1-4H3
InChIKeyIXRVCYOPAZOZDG-UHFFFAOYSA-N
MW511.64 g/mol
LogP4.86
Rot. Bonds7

About N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 121426322) has the molecular formula C28H38FN5O3 and a molecular weight of 511.64 g/mol. Its IUPAC name is N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID121426322
Molecular FormulaC28H38FN5O3
Molecular Weight511.64 g/mol
Exact Mass511.30
IUPAC NameN-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1COC1CCCCO1
InChIInChI=1S/C28H38FN5O3/c1-19-24(16-20-8-7-9-22(29)21(20)18-37-26-10-5-6-13-36-26)34-27(30-19)23(31-28(2,3)4)17-25(32-34)33-11-14-35-15-12-33/h7-9,17,26,31H,5-6,10-16,18H2,1-4H3
InChIKeyIXRVCYOPAZOZDG-UHFFFAOYSA-N
XLogP4.86
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 121426322) is N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is Cc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1COC1CCCCO1.
What is the InChIKey of N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is IXRVCYOPAZOZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN5O3/c1-19-24(16-20-8-7-9-22(29)21(20)18-37-26-10-5-6-13-36-26)34-27(30-19)23(31-28(2,3)4)17-25(32-34)33-11-14-35-15-12-33/h7-9,17,26,31H,5-6,10-16,18H2,1-4H3.
What are the key properties of N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 511.64 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121426322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).