N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

C27H34F4N6O2 — CID 127053739

About N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 127053739) has the molecular formula C27H34F4N6O2 and a molecular weight of 550.60 g/mol. Its IUPAC name is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 127053739
• Molecular Formula: C27H34F4N6O2
• Molecular Weight: 550.60 g/mol
• Exact Mass: 550.27
• IUPAC Name: N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: COc1cccc(F)c1CN1CC(NC(=O)N2CCC3NNC(c4ccnc(C)c4)C3C2)CC(C(F)(F)F)C1
• InChI: InChI=1S/C27H34F4N6O2/c1-16-10-17(6-8-32-16)25-21-15-37(9-7-23(21)34-35-25)26(38)33-19-11-18(27(29,30)31)12-36(13-19)14-20-22(28)4-3-5-24(20)39-2/h3-6,8,10,18-19,21,23,25,34-35H,7,9,11-15H2,1-2H3,(H,33,38)
• InChIKey: KTGUEHHZUAKPQK-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 81.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 127053739) is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is COc1cccc(F)c1CN1CC(NC(=O)N2CCC3NNC(c4ccnc(C)c4)C3C2)CC(C(F)(F)F)C1.

What is the InChIKey of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is KTGUEHHZUAKPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F4N6O2/c1-16-10-17(6-8-32-16)25-21-15-37(9-7-23(21)34-35-25)26(38)33-19-11-18(27(29,30)31)12-36(13-19)14-20-22(28)4-3-5-24(20)39-2/h3-6,8,10,18-19,21,23,25,34-35H,7,9,11-15H2,1-2H3,(H,33,38).

What are the key properties of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 550.60 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 127053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).