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

C24H25BrF3N7O — CID 138715497

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

1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715497) has the molecular formula C24H25BrF3N7O and a molecular weight of 564.41 g/mol. Its IUPAC name is 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715497
• Molecular Formula: C24H25BrF3N7O
• Molecular Weight: 564.41 g/mol
• Exact Mass: 563.13
• IUPAC Name: 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2Br)CC1
• InChI: InChI=1S/C24H25BrF3N7O/c1-3-29-20-10-19-17(12-31-20)22(14-11-32-34(2)13-14)33-35(19)15-4-6-16(7-5-15)36-23-21(25)18(8-9-30-23)24(26,27)28/h8-13,15-16H,3-7H2,1-2H3,(H,29,31)
• InChIKey: XEJLFALBWSEBQR-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 82.68 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	564.41
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715497) is 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

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

The canonical SMILES for 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2Br)CC1.

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

The InChIKey is XEJLFALBWSEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrF3N7O/c1-3-29-20-10-19-17(12-31-20)22(14-11-32-34(2)13-14)33-35(19)15-4-6-16(7-5-15)36-23-21(25)18(8-9-30-23)24(26,27)28/h8-13,15-16H,3-7H2,1-2H3,(H,29,31).

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

1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 564.41 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).