4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one

C26H26F4N6O2 — CID 138715460

About 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one

4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 138715460) has the molecular formula C26H26F4N6O2 and a molecular weight of 530.53 g/mol. Its IUPAC name is 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
• PubChem CID: 138715460
• Molecular Formula: C26H26F4N6O2
• Molecular Weight: 530.53 g/mol
• Exact Mass: 530.21
• IUPAC Name: 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
• SMILES: CCNc1cc2c(cn1)c(-c1ccn(C)c(=O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
• InChI: InChI=1S/C26H26F4N6O2/c1-3-31-21-13-20-18(14-33-21)24(15-9-11-35(2)22(37)12-15)34-36(20)16-4-6-17(7-5-16)38-25-23(27)19(8-10-32-25)26(28,29)30/h8-14,16-17H,3-7H2,1-2H3,(H,31,33)
• InChIKey: NVHUKDXLUUDUGJ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.53
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?

The IUPAC name of 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (CID 138715460) is 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.

What is the SMILES notation for 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?

The canonical SMILES for 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is CCNc1cc2c(cn1)c(-c1ccn(C)c(=O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.

What is the InChIKey of 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?

The InChIKey is NVHUKDXLUUDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O2/c1-3-31-21-13-20-18(14-33-21)24(15-9-11-35(2)22(37)12-15)34-36(20)16-4-6-17(7-5-16)38-25-23(27)19(8-10-32-25)26(28,29)30/h8-14,16-17H,3-7H2,1-2H3,(H,31,33).

What are the key properties of 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?

4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 530.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138715460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).