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

C19H18ClF3N6O3 — CID 90118927

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

N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118927) has the molecular formula C19H18ClF3N6O3 and a molecular weight of 470.84 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118927
• Molecular Formula: C19H18ClF3N6O3
• Molecular Weight: 470.84 g/mol
• Exact Mass: 470.11
• IUPAC Name: N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: CC(=O)NCCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12
• InChI: InChI=1S/C19H18ClF3N6O3/c1-11(30)24-4-5-26-17(31)16-13-9-29(28-15(13)2-3-25-16)8-12-6-14(20)18(27-7-12)32-10-19(21,22)23/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,24,30)(H,26,31)
• InChIKey: NZNZZJGCIFQCCN-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.84
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
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-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118927) is N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CC(=O)NCCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12.

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

The InChIKey is NZNZZJGCIFQCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O3/c1-11(30)24-4-5-26-17(31)16-13-9-29(28-15(13)2-3-25-16)8-12-6-14(20)18(27-7-12)32-10-19(21,22)23/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,24,30)(H,26,31).

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

N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 470.84 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).