3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

C24H26F3N5O2 — CID 118060329

About 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 118060329) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• PubChem CID: 118060329
• Molecular Formula: C24H26F3N5O2
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.20
• IUPAC Name: 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(CC3(C)CCOCC3)c2c1
• InChI: InChI=1S/C24H26F3N5O2/c1-15-21(16(2)34-30-15)17-8-20-22(28-9-17)19(18-10-29-32(11-18)14-24(25,26)27)12-31(20)13-23(3)4-6-33-7-5-23/h8-12H,4-7,13-14H2,1-3H3
• InChIKey: HLDSNADWTUVPEK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 70.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The IUPAC name of 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (CID 118060329) is 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

What is the SMILES notation for 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The canonical SMILES for 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(CC3(C)CCOCC3)c2c1.

What is the InChIKey of 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The InChIKey is HLDSNADWTUVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-15-21(16(2)34-30-15)17-8-20-22(28-9-17)19(18-10-29-32(11-18)14-24(25,26)27)12-31(20)13-23(3)4-6-33-7-5-23/h8-12H,4-7,13-14H2,1-3H3.

What are the key properties of 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 473.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[1-[(4-methyloxan-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 118060329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).