4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

C33H28F4N4O5 — CID 118918099

IUPAC4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCCOc1ccc(Oc2cc(Oc3ccc(OCC)c(F)c3F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
InChIInChI=1S/C33H28F4N4O5/c1-4-43-22-10-12-24(30(36)28(22)34)45-26-15-27(46-25-13-11-23(44-5-2)29(35)31(25)37)40-41-21(16-38-32(26)41)18-6-9-20(17(3)14-18)33(42)39-19-7-8-19/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,39,42)
InChIKeyZFLPXCWMQAYUDR-UHFFFAOYSA-N
MW636.60 g/mol
LogP7.54
Rot. Bonds11

About 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 118918099) has the molecular formula C33H28F4N4O5 and a molecular weight of 636.60 g/mol. Its IUPAC name is 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID118918099
Molecular FormulaC33H28F4N4O5
Molecular Weight636.60 g/mol
Exact Mass636.20
IUPAC Name4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCCOc1ccc(Oc2cc(Oc3ccc(OCC)c(F)c3F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
InChIInChI=1S/C33H28F4N4O5/c1-4-43-22-10-12-24(30(36)28(22)34)45-26-15-27(46-25-13-11-23(44-5-2)29(35)31(25)37)40-41-21(16-38-32(26)41)18-6-9-20(17(3)14-18)33(42)39-19-7-8-19/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,39,42)
InChIKeyZFLPXCWMQAYUDR-UHFFFAOYSA-N
XLogP7.54
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.60
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 118918099) is 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is CCOc1ccc(Oc2cc(Oc3ccc(OCC)c(F)c3F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F.
What is the InChIKey of 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is ZFLPXCWMQAYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F4N4O5/c1-4-43-22-10-12-24(30(36)28(22)34)45-26-15-27(46-25-13-11-23(44-5-2)29(35)31(25)37)40-41-21(16-38-32(26)41)18-6-9-20(17(3)14-18)33(42)39-19-7-8-19/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,39,42).
What are the key properties of 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 636.60 g/mol, XLogP of 7.54, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,8-bis(4-ethoxy-2,3-difluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 118918099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).