N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O2 — CID 90118465

About N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118465) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118465
• Molecular Formula: C19H20F3N5O2
• Molecular Weight: 407.40 g/mol
• Exact Mass: 407.16
• IUPAC Name: N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: CCNC(=O)c1nccc2nn(C(C)c3cc(C)c(OCC(F)(F)F)cn3)cc12
• InChI: InChI=1S/C19H20F3N5O2/c1-4-23-18(28)17-13-9-27(26-14(13)5-6-24-17)12(3)15-7-11(2)16(8-25-15)29-10-19(20,21)22/h5-9,12H,4,10H2,1-3H3,(H,23,28)
• InChIKey: ZFORIXGRSKSBJJ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.40
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118465) is N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(C(C)c3cc(C)c(OCC(F)(F)F)cn3)cc12.

What is the InChIKey of N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The InChIKey is ZFORIXGRSKSBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-4-23-18(28)17-13-9-27(26-14(13)5-6-24-17)12(3)15-7-11(2)16(8-25-15)29-10-19(20,21)22/h5-9,12H,4,10H2,1-3H3,(H,23,28).

What are the key properties of N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).