1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C28H25ClF3N3O2 — CID 159209813

About 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 159209813) has the molecular formula C28H25ClF3N3O2 and a molecular weight of 527.97 g/mol. Its IUPAC name is 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• PubChem CID: 159209813
• Molecular Formula: C28H25ClF3N3O2
• Molecular Weight: 527.97 g/mol
• Exact Mass: 527.16
• IUPAC Name: 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• SMILES: O=C(CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1cnn2ccc(Cl)cc12
• InChI: InChI=1S/C28H25ClF3N3O2/c29-22-13-16-35-26(17-22)25(18-33-35)27(36)10-3-19-1-6-23(7-2-19)34-14-11-21(12-15-34)20-4-8-24(9-5-20)37-28(30,31)32/h1-2,4-9,13,16-18,21H,3,10-12,14-15H2
• InChIKey: KQITURBRFNASHC-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.97
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 159209813) is 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is O=C(CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1cnn2ccc(Cl)cc12.

What is the InChIKey of 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The InChIKey is KQITURBRFNASHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N3O2/c29-22-13-16-35-26(17-22)25(18-33-35)27(36)10-3-19-1-6-23(7-2-19)34-14-11-21(12-15-34)20-4-8-24(9-5-20)37-28(30,31)32/h1-2,4-9,13,16-18,21H,3,10-12,14-15H2.

What are the key properties of 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 527.97 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 159209813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).