N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O3 — CID 90119175

About N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119175) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90119175
• Molecular Formula: C19H20F3N5O3
• Molecular Weight: 423.40 g/mol
• Exact Mass: 423.15
• IUPAC Name: N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: CNC(=O)c1nccc2nn(Cc3cnc(OCCOCC(F)(F)F)c(C)c3)cc12
• InChI: InChI=1S/C19H20F3N5O3/c1-12-7-13(8-25-18(12)30-6-5-29-11-19(20,21)22)9-27-10-14-15(26-27)3-4-24-16(14)17(28)23-2/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,23,28)
• InChIKey: OXNISFOOPUOOSY-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.40
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119175) is N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CNC(=O)c1nccc2nn(Cc3cnc(OCCOCC(F)(F)F)c(C)c3)cc12.

What is the InChIKey of N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The InChIKey is OXNISFOOPUOOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-12-7-13(8-25-18(12)30-6-5-29-11-19(20,21)22)9-27-10-14-15(26-27)3-4-24-16(14)17(28)23-2/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,23,28).

What are the key properties of N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).