1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one

C23H17ClF3N3O2 — CID 146736045

About 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one

1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one (PubChem CID 146736045) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
• PubChem CID: 146736045
• Molecular Formula: C23H17ClF3N3O2
• Molecular Weight: 459.86 g/mol
• Exact Mass: 459.10
• IUPAC Name: 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
• SMILES: Cc1nn2ccc(Cl)cc2c1C(=O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
• InChI: InChI=1S/C23H17ClF3N3O2/c1-14-22(20-12-17(24)10-11-30(20)29-14)21(31)9-3-15-2-8-19(28-13-15)16-4-6-18(7-5-16)32-23(25,26)27/h2,4-8,10-13H,3,9H2,1H3
• InChIKey: RJEGPNCYFBYZML-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.86
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?

The IUPAC name of 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one (CID 146736045) is 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one.

What is the SMILES notation for 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?

The canonical SMILES for 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one is Cc1nn2ccc(Cl)cc2c1C(=O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1.

What is the InChIKey of 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?

The InChIKey is RJEGPNCYFBYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c1-14-22(20-12-17(24)10-11-30(20)29-14)21(31)9-3-15-2-8-19(28-13-15)16-4-6-18(7-5-16)32-23(25,26)27/h2,4-8,10-13H,3,9H2,1H3.

What are the key properties of 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?

1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one has a molecular weight of 459.86 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one is sourced from PubChem (CID 146736045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).