[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

C24H30ClFN4O3 — CID 121425898

IUPAC[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCC(C)(C)Nc1cc(Cl)nn2c(Cc3cccc(F)c3COC3CCCCO3)c(CO)nc12
InChIInChI=1S/C24H30ClFN4O3/c1-24(2,3)28-18-12-21(25)29-30-20(19(13-31)27-23(18)30)11-15-7-6-8-17(26)16(15)14-33-22-9-4-5-10-32-22/h6-8,12,22,28,31H,4-5,9-11,13-14H2,1-3H3
InChIKeyRWOBMUZSAMVXJH-UHFFFAOYSA-N
MW476.98 g/mol
LogP4.86
Rot. Bonds7

About [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 121425898) has the molecular formula C24H30ClFN4O3 and a molecular weight of 476.98 g/mol. Its IUPAC name is [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID121425898
Molecular FormulaC24H30ClFN4O3
Molecular Weight476.98 g/mol
Exact Mass476.20
IUPAC Name[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCC(C)(C)Nc1cc(Cl)nn2c(Cc3cccc(F)c3COC3CCCCO3)c(CO)nc12
InChIInChI=1S/C24H30ClFN4O3/c1-24(2,3)28-18-12-21(25)29-30-20(19(13-31)27-23(18)30)11-15-7-6-8-17(26)16(15)14-33-22-9-4-5-10-32-22/h6-8,12,22,28,31H,4-5,9-11,13-14H2,1-3H3
InChIKeyRWOBMUZSAMVXJH-UHFFFAOYSA-N
XLogP4.86
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (CID 121425898) is [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is CC(C)(C)Nc1cc(Cl)nn2c(Cc3cccc(F)c3COC3CCCCO3)c(CO)nc12.
What is the InChIKey of [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is RWOBMUZSAMVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O3/c1-24(2,3)28-18-12-21(25)29-30-20(19(13-31)27-23(18)30)11-15-7-6-8-17(26)16(15)14-33-22-9-4-5-10-32-22/h6-8,12,22,28,31H,4-5,9-11,13-14H2,1-3H3.
What are the key properties of [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
[8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 476.98 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(tert-butylamino)-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 121425898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).