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

C26H24F3N7O2S — CID 172625273

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

1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 172625273) has the molecular formula C26H24F3N7O2S and a molecular weight of 555.59 g/mol. Its IUPAC name is 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
• PubChem CID: 172625273
• Molecular Formula: C26H24F3N7O2S
• Molecular Weight: 555.59 g/mol
• Exact Mass: 555.17
• IUPAC Name: 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
• SMILES: Cc1ncc(-c2ccc3c(C(=O)N4CC5(CC(N(C)C(=O)Nc6cncc(C(F)(F)F)c6)C5)C4)cnn3c2)s1
• InChI: InChI=1S/C26H24F3N7O2S/c1-15-31-11-22(39-15)16-3-4-21-20(10-32-36(21)12-16)23(37)35-13-25(14-35)6-19(7-25)34(2)24(38)33-18-5-17(8-30-9-18)26(27,28)29/h3-5,8-12,19H,6-7,13-14H2,1-2H3,(H,33,38)
• InChIKey: BFKOWJKPXCANPZ-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 95.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.59
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea (CID 172625273) is 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea.

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

The canonical SMILES for 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea is Cc1ncc(-c2ccc3c(C(=O)N4CC5(CC(N(C)C(=O)Nc6cncc(C(F)(F)F)c6)C5)C4)cnn3c2)s1.

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

The InChIKey is BFKOWJKPXCANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2S/c1-15-31-11-22(39-15)16-3-4-21-20(10-32-36(21)12-16)23(37)35-13-25(14-35)6-19(7-25)34(2)24(38)33-18-5-17(8-30-9-18)26(27,28)29/h3-5,8-12,19H,6-7,13-14H2,1-2H3,(H,33,38).

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

1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 555.59 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 172625273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).