FROVXXBFQKVYKU-UHFFFAOYSA-N

C₃₁H₃₃F₃N₄O₂ — CID 122188600

About FROVXXBFQKVYKU-UHFFFAOYSA-N

FROVXXBFQKVYKU-UHFFFAOYSA-N (PubChem CID 122188600) has the molecular formula C₃₁H₃₃F₃N₄O₂ and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: FROVXXBFQKVYKU-UHFFFAOYSA-N
• PubChem CID: 122188600
• Molecular Formula: C₃₁H₃₃F₃N₄O₂
• Molecular Weight: 550.63 g/mol
• Exact Mass: 550.26
• IUPAC Name: 2-methyl-5-propan-2-yl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nn2ccc(C(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C31H33F3N4O2/c1-20(2)25-14-17-38-28(18-25)29(21(3)36-38)30(39)35-19-22-4-8-26(9-5-22)37-15-12-24(13-16-37)23-6-10-27(11-7-23)40-31(32,33)34/h4-11,14,17-18,20,24H,12-13,15-16,19H2,1-3H3,(H,35,39)
• InChIKey: FROVXXBFQKVYKU-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.63
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
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 FROVXXBFQKVYKU-UHFFFAOYSA-N?

The IUPAC name of FROVXXBFQKVYKU-UHFFFAOYSA-N (CID 122188600) is 2-methyl-5-propan-2-yl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for FROVXXBFQKVYKU-UHFFFAOYSA-N?

The canonical SMILES for FROVXXBFQKVYKU-UHFFFAOYSA-N is Cc1nn2ccc(C(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of FROVXXBFQKVYKU-UHFFFAOYSA-N?

The InChIKey is FROVXXBFQKVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O2/c1-20(2)25-14-17-38-28(18-25)29(21(3)36-38)30(39)35-19-22-4-8-26(9-5-22)37-15-12-24(13-16-37)23-6-10-27(11-7-23)40-31(32,33)34/h4-11,14,17-18,20,24H,12-13,15-16,19H2,1-3H3,(H,35,39).

What are the key properties of FROVXXBFQKVYKU-UHFFFAOYSA-N?

FROVXXBFQKVYKU-UHFFFAOYSA-N has a molecular weight of 550.63 g/mol, XLogP of 6.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for FROVXXBFQKVYKU-UHFFFAOYSA-N is sourced from PubChem (CID 122188600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122188600 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.