(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone

C25H20F3N7O — CID 154857954

About (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 154857954) has the molecular formula C25H20F3N7O and a molecular weight of 491.48 g/mol. Its IUPAC name is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
• PubChem CID: 154857954
• Molecular Formula: C25H20F3N7O
• Molecular Weight: 491.48 g/mol
• Exact Mass: 491.17
• IUPAC Name: (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C25H20F3N7O/c26-25(27,28)18-8-9-21-31-32-22(34(21)15-18)17-7-4-12-33(14-17)24(36)19-13-30-35-20(10-11-29-23(19)35)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,17H,4,7,12,14H2
• InChIKey: BNPFEWCBOWNJFQ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 80.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.48
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?

The IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (CID 154857954) is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?

The InChIKey is BNPFEWCBOWNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O/c26-25(27,28)18-8-9-21-31-32-22(34(21)15-18)17-7-4-12-33(14-17)24(36)19-13-30-35-20(10-11-29-23(19)35)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,17H,4,7,12,14H2.

What are the key properties of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 491.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 154857954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).