2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile

C26H27F3N8O — CID 138715636

About 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile

2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile (PubChem CID 138715636) has the molecular formula C26H27F3N8O and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile
• PubChem CID: 138715636
• Molecular Formula: C26H27F3N8O
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.23
• IUPAC Name: 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile
• SMILES: CNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
• InChI: InChI=1S/C26H27F3N8O/c1-25(2,15-30)36-14-16(12-34-36)23-19-13-33-22(31-3)11-20(19)37(35-23)17-6-8-18(9-7-17)38-21-5-4-10-32-24(21)26(27,28)29/h4-5,10-14,17-18H,6-9H2,1-3H3,(H,31,33)
• InChIKey: JFXTWIXKKXNXEO-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 106.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile?

The IUPAC name of 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile (CID 138715636) is 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile.

What is the SMILES notation for 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile?

The canonical SMILES for 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile is CNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.

What is the InChIKey of 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile?

The InChIKey is JFXTWIXKKXNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O/c1-25(2,15-30)36-14-16(12-34-36)23-19-13-33-22(31-3)11-20(19)37(35-23)17-6-8-18(9-7-17)38-21-5-4-10-32-24(21)26(27,28)29/h4-5,10-14,17-18H,6-9H2,1-3H3,(H,31,33).

What are the key properties of 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile?

2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 524.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 138715636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).