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

C20H22F3N5O3 — CID 90118900

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

N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118900) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118900
• Molecular Formula: C20H22F3N5O3
• Molecular Weight: 437.42 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)cnc1COCC(F)(F)F
• InChI: InChI=1S/C20H22F3N5O3/c1-13-7-14(8-26-17(13)11-31-12-20(21,22)23)9-28-10-15-16(27-28)3-5-24-18(15)19(30)25-4-2-6-29/h3,5,7-8,10,29H,2,4,6,9,11-12H2,1H3,(H,25,30)
• InChIKey: DXELNOBWGBFVPW-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.42
LogP ≤ 5	2.37
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-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118900) is N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)cnc1COCC(F)(F)F.

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

The InChIKey is DXELNOBWGBFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-13-7-14(8-26-17(13)11-31-12-20(21,22)23)9-28-10-15-16(27-28)3-5-24-18(15)19(30)25-4-2-6-29/h3,5,7-8,10,29H,2,4,6,9,11-12H2,1H3,(H,25,30).

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

N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxypropyl)-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).