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

C25H26F3N9 — CID 134565117

About 3-[[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 134565117) has the molecular formula C25H26F3N9 and a molecular weight of 509.54 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]methyl]-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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• PubChem CID: 134565117
• Molecular Formula: C25H26F3N9
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.23
• IUPAC Name: 3-[[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
• SMILES: CC(C)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(C(F)(F)F)nn56)c4c3)cn2)CC1
• InChI: InChI=1S/C25H26F3N9/c1-16(2)34-7-5-19(6-8-34)35-14-18(11-31-35)17-9-22-21(29-10-17)13-32-36(22)15-20-12-30-24-4-3-23(25(26,27)28)33-37(20)24/h3-4,9-14,16,19H,5-8,15H2,1-2H3
• InChIKey: JRBDDAFDTPIATA-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 81.96 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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]methyl]-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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 134565117) is 3-[[6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-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]methyl]-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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is CC(C)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?

The InChIKey is JRBDDAFDTPIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9/c1-16(2)34-7-5-19(6-8-34)35-14-18(11-31-35)17-9-22-21(29-10-17)13-32-36(22)15-20-12-30-24-4-3-23(25(26,27)28)33-37(20)24/h3-4,9-14,16,19H,5-8,15H2,1-2H3.

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]methyl]-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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 509.54 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 9 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]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 134565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).