4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide

C24H22F3N5O3 — CID 87111766

IUPAC4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCC(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C
InChIInChI=1S/C24H22F3N5O3/c1-13-8-14(4-6-16(13)24(33)28-2)19-11-30-23-18(29-12-21(26)27)10-22(31-32(19)23)35-20-7-5-15(34-3)9-17(20)25/h4-11,21,29H,12H2,1-3H3,(H,28,33)
InChIKeyFWTGWGFCTCDOFT-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.68
Rot. Bonds8

About 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide

4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide (PubChem CID 87111766) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide
PubChem CID87111766
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCC(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C
InChIInChI=1S/C24H22F3N5O3/c1-13-8-14(4-6-16(13)24(33)28-2)19-11-30-23-18(29-12-21(26)27)10-22(31-32(19)23)35-20-7-5-15(34-3)9-17(20)25/h4-11,21,29H,12H2,1-3H3,(H,28,33)
InChIKeyFWTGWGFCTCDOFT-UHFFFAOYSA-N
XLogP4.68
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide (CID 87111766) is 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide is CNC(=O)c1ccc(-c2cnc3c(NCC(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C.
What is the InChIKey of 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide?
The InChIKey is FWTGWGFCTCDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c1-13-8-14(4-6-16(13)24(33)28-2)19-11-30-23-18(29-12-21(26)27)10-22(31-32(19)23)35-20-7-5-15(34-3)9-17(20)25/h4-11,21,29H,12H2,1-3H3,(H,28,33).
What are the key properties of 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide?
4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide has a molecular weight of 485.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 87111766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).