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

C26H27F3N8 — CID 121339227

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

6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 121339227) has the molecular formula C26H27F3N8 and a molecular weight of 508.55 g/mol. Its IUPAC name is 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine
• PubChem CID: 121339227
• Molecular Formula: C26H27F3N8
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.23
• IUPAC Name: 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine
• SMILES: CC(C)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(C(F)(F)F)cn56)c4c3)cn2)CC1
• InChI: InChI=1S/C26H27F3N8/c1-17(2)34-7-5-21(6-8-34)36-14-19(11-32-36)18-9-24-23(30-10-18)13-33-37(24)16-22-12-31-25-4-3-20(15-35(22)25)26(27,28)29/h3-4,9-15,17,21H,5-8,16H2,1-2H3
• InChIKey: DDOICQUFJTYGHN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 69.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine (CID 121339227) is 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine.

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

The canonical SMILES for 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine is CC(C)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(C(F)(F)F)cn56)c4c3)cn2)CC1.

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

The InChIKey is DDOICQUFJTYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8/c1-17(2)34-7-5-21(6-8-34)36-14-19(11-32-36)18-9-24-23(30-10-18)13-33-37(24)16-22-12-31-25-4-3-20(15-35(22)25)26(27,28)29/h3-4,9-15,17,21H,5-8,16H2,1-2H3.

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

6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 508.55 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).