5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide

C24H19F2N5O2S2 — CID 44552735

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide (PubChem CID 44552735) has the molecular formula C24H19F2N5O2S2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide
• PubChem CID: 44552735
• Molecular Formula: C24H19F2N5O2S2
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.09
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(-c5cccs5)cn4n3)s2)c(F)c1
• InChI: InChI=1S/C24H19F2N5O2S2/c1-24(2,33)12-8-14(25)21(15(26)9-12)18-10-13(22(27)32)23(35-18)29-19-5-6-20-28-16(11-31(20)30-19)17-4-3-7-34-17/h3-11,33H,1-2H3,(H2,27,32)(H,29,30)
• InChIKey: UOAYPZZFFDQRCT-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 105.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide (CID 44552735) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(-c5cccs5)cn4n3)s2)c(F)c1.

What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide?

The InChIKey is UOAYPZZFFDQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2S2/c1-24(2,33)12-8-14(25)21(15(26)9-12)18-10-13(22(27)32)23(35-18)29-19-5-6-20-28-16(11-31(20)30-19)17-4-3-7-34-17/h3-11,33H,1-2H3,(H2,27,32)(H,29,30).

What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide?

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 44552735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).