N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C22H25F3N6O4 — CID 90119186

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

N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119186) has the molecular formula C22H25F3N6O4 and a molecular weight of 494.47 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90119186
• Molecular Formula: C22H25F3N6O4
• Molecular Weight: 494.47 g/mol
• Exact Mass: 494.19
• IUPAC Name: N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cc(Cn2cc3c(C(=O)NCCNC(=O)C(C)(C)O)nccc3n2)cnc1OCC(F)(F)F
• InChI: InChI=1S/C22H25F3N6O4/c1-13-8-14(9-29-19(13)35-12-22(23,24)25)10-31-11-15-16(30-31)4-5-26-17(15)18(32)27-6-7-28-20(33)21(2,3)34/h4-5,8-9,11,34H,6-7,10,12H2,1-3H3,(H,27,32)(H,28,33)
• InChIKey: QPDVYLLJXQRKHN-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.47
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119186) is N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCNC(=O)C(C)(C)O)nccc3n2)cnc1OCC(F)(F)F.

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

The InChIKey is QPDVYLLJXQRKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O4/c1-13-8-14(9-29-19(13)35-12-22(23,24)25)10-31-11-15-16(30-31)4-5-26-17(15)18(32)27-6-7-28-20(33)21(2,3)34/h4-5,8-9,11,34H,6-7,10,12H2,1-3H3,(H,27,32)(H,28,33).

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

N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 494.47 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).