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

C28H36F4N6O2 — CID 138715181

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

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715181) has the molecular formula C28H36F4N6O2 and a molecular weight of 564.63 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[1-(2-methoxyethyl)piperidin-4-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-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715181
• Molecular Formula: C28H36F4N6O2
• Molecular Weight: 564.63 g/mol
• Exact Mass: 564.28
• IUPAC Name: N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(C1CCN(CCOC)CC1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
• InChI: InChI=1S/C28H36F4N6O2/c1-3-33-24-16-23-21(17-35-24)26(18-9-12-37(13-10-18)14-15-39-2)36-38(23)19-4-6-20(7-5-19)40-27-25(29)22(8-11-34-27)28(30,31)32/h8,11,16-20H,3-7,9-10,12-15H2,1-2H3,(H,33,35)
• InChIKey: NWJVPEJEQPQHFX-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.63
LogP ≤ 5	5.80
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-[1-(2-methoxyethyl)piperidin-4-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-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715181) is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[1-(2-methoxyethyl)piperidin-4-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-[1-(2-methoxyethyl)piperidin-4-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-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(C1CCN(CCOC)CC1)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-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is NWJVPEJEQPQHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F4N6O2/c1-3-33-24-16-23-21(17-35-24)26(18-9-12-37(13-10-18)14-15-39-2)36-38(23)19-4-6-20(7-5-19)40-27-25(29)22(8-11-34-27)28(30,31)32/h8,11,16-20H,3-7,9-10,12-15H2,1-2H3,(H,33,35).

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

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 564.63 g/mol, XLogP of 5.80, 9 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-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).