(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)

C109H126F20N20O6 — CID 157285771

About (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)

(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone) (PubChem CID 157285771) has the molecular formula C109H126F20N20O6 and a molecular weight of 2192.30 g/mol. Its IUPAC name is (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone).

Molecular Properties

• Compound Name: (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)
• PubChem CID: 157285771
• Molecular Formula: C109H126F20N20O6
• Molecular Weight: 2192.30 g/mol
• Exact Mass: 2190.98
• IUPAC Name: (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)
• SMILES: CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.CCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.O=C(c1n[nH]c2c1CN(C1COC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1
• InChI: InChI=1S/C22H24F4N4O2.3C22H26F4N4O.C21H24F4N4O/c23-17-3-1-2-15(19(17)22(24,25)26)13-4-7-29(8-5-13)21(31)20-16-10-30(14-11-32-12-14)9-6-18(16)27-28-20;1-2-9-29-10-8-18-16(13-29)20(28-27-18)21(31)30-11-6-14(7-12-30)15-4-3-5-17(23)19(15)22(24,25)26;2*1-2-9-29-10-8-16-18(13-29)27-28-20(16)21(31)30-11-6-14(7-12-30)15-4-3-5-17(23)19(15)22(24,25)26;1-2-28-9-8-15-17(12-28)26-27-19(15)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h1-3,13-14H,4-12H2,(H,27,28);3*3-5,14H,2,6-13H2,1H3,(H,27,28);3-5,13H,2,6-12H2,1H3,(H,26,27)
• InChIKey: BAFFWVRTRCVEIS-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 270.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.30
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)?

The IUPAC name of (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone) (CID 157285771) is (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone).

What is the SMILES notation for (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)?

The canonical SMILES for (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone) is CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.CCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.O=C(c1n[nH]c2c1CN(C1COC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1.

What is the InChIKey of (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)?

The InChIKey is BAFFWVRTRCVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O2.3C22H26F4N4O.C21H24F4N4O/c23-17-3-1-2-15(19(17)22(24,25)26)13-4-7-29(8-5-13)21(31)20-16-10-30(14-11-32-12-14)9-6-18(16)27-28-20;1-2-9-29-10-8-18-16(13-29)20(28-27-18)21(31)30-11-6-14(7-12-30)15-4-3-5-17(23)19(15)22(24,25)26;2*1-2-9-29-10-8-16-18(13-29)27-28-20(16)21(31)30-11-6-14(7-12-30)15-4-3-5-17(23)19(15)22(24,25)26;1-2-28-9-8-15-17(12-28)26-27-19(15)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h1-3,13-14H,4-12H2,(H,27,28);3*3-5,14H,2,6-13H2,1H3,(H,27,28);3-5,13H,2,6-12H2,1H3,(H,26,27).

What are the key properties of (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone)?

(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone) has a molecular weight of 2192.30 g/mol, XLogP of 20.38, 18 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis([4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone) is sourced from PubChem (CID 157285771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).