N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H25F3N4O4 — CID 135994888

About N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 135994888) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
• PubChem CID: 135994888
• Molecular Formula: C22H25F3N4O4
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.18
• IUPAC Name: N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
• SMILES: Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(O)COc3cccc(C(F)(F)F)c3)c(C)c12
• InChI: InChI=1S/C22H25F3N4O4/c1-12-17(21(32)27-20-19(12)13(2)28-29(20)3)7-8-18(31)26-10-15(30)11-33-16-6-4-5-14(9-16)22(23,24)25/h4-6,9,15,30H,7-8,10-11H2,1-3H3,(H,26,31)(H,27,32)
• InChIKey: CDRBGKASAFUCPI-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 109.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?

The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 135994888) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?

The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(O)COc3cccc(C(F)(F)F)c3)c(C)c12.

What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?

The InChIKey is CDRBGKASAFUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-12-17(21(32)27-20-19(12)13(2)28-29(20)3)7-8-18(31)26-10-15(30)11-33-16-6-4-5-14(9-16)22(23,24)25/h4-6,9,15,30H,7-8,10-11H2,1-3H3,(H,26,31)(H,27,32).

What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 466.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 135994888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).