N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine

C24H24F4N6O2 — CID 138715654

About N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715654) has the molecular formula C24H24F4N6O2 and a molecular weight of 504.49 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715654
• Molecular Formula: C24H24F4N6O2
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(-c1cc(C)no1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
• InChI: InChI=1S/C24H24F4N6O2/c1-3-29-20-11-18-16(12-31-20)22(19-10-13(2)33-36-19)32-34(18)14-4-6-15(7-5-14)35-23-21(25)17(8-9-30-23)24(26,27)28/h8-12,14-15H,3-7H2,1-2H3,(H,29,31)
• InChIKey: RZOXRAQOJQKDEH-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 90.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715654) is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cc(C)no1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.

What is the InChIKey of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is RZOXRAQOJQKDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O2/c1-3-29-20-11-18-16(12-31-20)22(19-10-13(2)33-36-19)32-34(18)14-4-6-15(7-5-14)35-23-21(25)17(8-9-30-23)24(26,27)28/h8-12,14-15H,3-7H2,1-2H3,(H,29,31).

What are the key properties of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine?

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 504.49 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).