N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C25H22F3N3O3 — CID 163299001

About N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163299001) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 163299001
• Molecular Formula: C25H22F3N3O3
• Molecular Weight: 469.46 g/mol
• Exact Mass: 469.16
• IUPAC Name: N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(=O)[nH]n3ccccc23)c(C(C)C)cc1Oc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H22F3N3O3/c1-14(2)18-13-21(34-17-9-7-16(8-10-17)25(26,27)28)15(3)12-19(18)29-23(32)22-20-6-4-5-11-31(20)30-24(22)33/h4-14H,1-3H3,(H,29,32)(H,30,33)
• InChIKey: FDUIIKFVYLTYJA-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.46
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163299001) is N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(NC(=O)c2c(=O)[nH]n3ccccc23)c(C(C)C)cc1Oc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is FDUIIKFVYLTYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c1-14(2)18-13-21(34-17-9-7-16(8-10-17)25(26,27)28)15(3)12-19(18)29-23(32)22-20-6-4-5-11-31(20)30-24(22)33/h4-14H,1-3H3,(H,29,32)(H,30,33).

What are the key properties of N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]phenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).