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

C19H20F3N5O3 — CID 90118662

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

N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118662) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118662
• Molecular Formula: C19H20F3N5O3
• Molecular Weight: 423.40 g/mol
• Exact Mass: 423.15
• IUPAC Name: N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)ncc1OCC(F)(F)F
• InChI: InChI=1S/C19H20F3N5O3/c1-12-7-13(25-8-16(12)30-11-19(20,21)22)9-27-10-14-15(26-27)3-5-23-17(14)18(29)24-4-2-6-28/h3,5,7-8,10,28H,2,4,6,9,11H2,1H3,(H,24,29)
• InChIKey: NMGLGLCHTCOCKW-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• 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	2.24
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-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118662) is N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)ncc1OCC(F)(F)F.

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

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

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

N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxypropyl)-2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).