3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

C24H24F3N9O2S — CID 134565730

About 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 134565730) has the molecular formula C24H24F3N9O2S and a molecular weight of 559.58 g/mol. Its IUPAC name is 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• PubChem CID: 134565730
• Molecular Formula: C24H24F3N9O2S
• Molecular Weight: 559.58 g/mol
• Exact Mass: 559.17
• IUPAC Name: 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• SMILES: CC(C)N1CCC(n2cc(-c3cnc4cnn(S(=O)(=O)c5cnc6ccc(C(F)(F)F)nn56)c4c3)cn2)CC1
• InChI: InChI=1S/C24H24F3N9O2S/c1-15(2)33-7-5-18(6-8-33)34-14-17(11-30-34)16-9-20-19(28-10-16)12-31-36(20)39(37,38)23-13-29-22-4-3-21(24(25,26)27)32-35(22)23/h3-4,9-15,18H,5-8H2,1-2H3
• InChIKey: UVAJHLZTBKQROR-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 116.10 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.58
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The IUPAC name of 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 134565730) is 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is CC(C)N1CCC(n2cc(-c3cnc4cnn(S(=O)(=O)c5cnc6ccc(C(F)(F)F)nn56)c4c3)cn2)CC1.

What is the InChIKey of 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The InChIKey is UVAJHLZTBKQROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N9O2S/c1-15(2)33-7-5-18(6-8-33)34-14-17(11-30-34)16-9-20-19(28-10-16)12-31-36(20)39(37,38)23-13-29-22-4-3-21(24(25,26)27)32-35(22)23/h3-4,9-15,18H,5-8H2,1-2H3.

What are the key properties of 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 559.58 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 134565730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).