4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H20F4N8O — CID 166792973

About 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166792973) has the molecular formula C26H20F4N8O and a molecular weight of 536.49 g/mol. Its IUPAC name is 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166792973
• Molecular Formula: C26H20F4N8O
• Molecular Weight: 536.49 g/mol
• Exact Mass: 536.17
• IUPAC Name: 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(-c2cc(OCC(F)(F)F)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C26H20F4N8O/c1-16(17-3-6-24(33-9-17)37-13-20(27)12-35-37)36(2)23-5-4-18(10-32-23)22-7-21(39-15-26(28,29)30)14-38-25(22)19(8-31)11-34-38/h3-7,9-14,16H,15H2,1-2H3
• InChIKey: HDSZBKMESAVFRF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 97.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.49
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166792973) is 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(-c2cc(OCC(F)(F)F)cn3ncc(C#N)c23)cn1.

What is the InChIKey of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HDSZBKMESAVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N8O/c1-16(17-3-6-24(33-9-17)37-13-20(27)12-35-37)36(2)23-5-4-18(10-32-23)22-7-21(39-15-26(28,29)30)14-38-25(22)19(8-31)11-34-38/h3-7,9-14,16H,15H2,1-2H3.

What are the key properties of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 536.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166792973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).