1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

C23H22F3N5O3 — CID 172625069

About 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 172625069) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 172625069
• Molecular Formula: C23H22F3N5O3
• Molecular Weight: 473.46 g/mol
• Exact Mass: 473.17
• IUPAC Name: 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnn3cc(CO)ccc13)C2
• InChI: InChI=1S/C23H22F3N5O3/c24-23(25,26)15-2-1-3-16(6-15)28-21(34)29-17-7-22(8-17)12-30(13-22)20(33)18-9-27-31-10-14(11-32)4-5-19(18)31/h1-6,9-10,17,32H,7-8,11-13H2,(H2,28,29,34)
• InChIKey: VAMYNMUSJNQXJG-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 98.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.46
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 172625069) is 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnn3cc(CO)ccc13)C2.

What is the InChIKey of 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is VAMYNMUSJNQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c24-23(25,26)15-2-1-3-16(6-15)28-21(34)29-17-7-22(8-17)12-30(13-22)20(33)18-9-27-31-10-14(11-32)4-5-19(18)31/h1-6,9-10,17,32H,7-8,11-13H2,(H2,28,29,34).

What are the key properties of 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?

1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 473.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 172625069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).