6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H23F3N4O2 — CID 55720620

IUPAC6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)CC(F)(F)F
InChIInChI=1S/C22H23F3N4O2/c1-29(13-22(23,24)25)11-5-10-26-20(30)16-12-17(14-8-9-14)27-21-18(16)19(28-31-21)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,26,30)
InChIKeyXBKGBTHINVURFO-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.38
Rot. Bonds8

About 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55720620) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55720620
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)CC(F)(F)F
InChIInChI=1S/C22H23F3N4O2/c1-29(13-22(23,24)25)11-5-10-26-20(30)16-12-17(14-8-9-14)27-21-18(16)19(28-31-21)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,26,30)
InChIKeyXBKGBTHINVURFO-UHFFFAOYSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55720620) is 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CN(CCCNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)CC(F)(F)F.
What is the InChIKey of 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XBKGBTHINVURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-29(13-22(23,24)25)11-5-10-26-20(30)16-12-17(14-8-9-14)27-21-18(16)19(28-31-21)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,26,30).
What are the key properties of 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55720620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).