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

C24H26F3N7O2 — CID 138715056

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715056) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715056
• Molecular Formula: C24H26F3N7O2
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.21
• IUPAC Name: N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(OCC(F)(F)F)n2)CC1
• InChI: InChI=1S/C24H26F3N7O2/c1-28-20-10-19-18(12-29-20)23(15-11-30-33(2)13-15)32-34(19)16-6-8-17(9-7-16)36-22-5-3-4-21(31-22)35-14-24(25,26)27/h3-5,10-13,16-17H,6-9,14H2,1-2H3,(H,28,29)
• InChIKey: VZDLPJYBPUCWAE-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 91.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715056) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

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

The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(OCC(F)(F)F)n2)CC1.

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

The InChIKey is VZDLPJYBPUCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c1-28-20-10-19-18(12-29-20)23(15-11-30-33(2)13-15)32-34(19)16-6-8-17(9-7-16)36-22-5-3-4-21(31-22)35-14-24(25,26)27/h3-5,10-13,16-17H,6-9,14H2,1-2H3,(H,28,29).

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 501.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).