2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide

C20H21F4N5O3 — CID 90118734

About 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide

2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (PubChem CID 90118734) has the molecular formula C20H21F4N5O3 and a molecular weight of 455.41 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
• PubChem CID: 90118734
• Molecular Formula: C20H21F4N5O3
• Molecular Weight: 455.41 g/mol
• Exact Mass: 455.16
• IUPAC Name: 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
• SMILES: Cc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)ncc1OCC(F)(F)C(F)F
• InChI: InChI=1S/C20H21F4N5O3/c1-11-6-12(26-7-15(11)32-10-20(23,24)17(21)22)8-29-9-13-14(28-29)4-5-25-16(13)27-18(30)19(2,3)31/h4-7,9,17,31H,8,10H2,1-3H3,(H,25,27,30)
• InChIKey: JBLJAADOVVKIAC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 102.16 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	455.41
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?

The IUPAC name of 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (CID 90118734) is 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.

What is the SMILES notation for 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?

The canonical SMILES for 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is Cc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)ncc1OCC(F)(F)C(F)F.

What is the InChIKey of 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?

The InChIKey is JBLJAADOVVKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O3/c1-11-6-12(26-7-15(11)32-10-20(23,24)17(21)22)8-29-9-13-14(28-29)4-5-25-16(13)27-18(30)19(2,3)31/h4-7,9,17,31H,8,10H2,1-3H3,(H,25,27,30).

What are the key properties of 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?

2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 455.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-N-[2-[[4-methyl-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 90118734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).