1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid

C20H19F3N4O3 — CID 68596128

About 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid

1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid (PubChem CID 68596128) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid.

Molecular Properties

• Compound Name: 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid
• PubChem CID: 68596128
• Molecular Formula: C20H19F3N4O3
• Molecular Weight: 420.39 g/mol
• Exact Mass: 420.14
• IUPAC Name: 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid
• SMILES: O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C4CC4)ccn23)c1.O=CO
• InChI: InChI=1S/C19H17F3N4O.CH2O2/c20-19(21,22)11-24-18(27)25-15-3-1-2-14(8-15)16-10-23-17-9-13(12-4-5-12)6-7-26(16)17;2-1-3/h1-3,6-10,12H,4-5,11H2,(H2,24,25,27);1H,(H,2,3)
• InChIKey: UZTREOCAGDBLTL-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 95.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.39
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid?

The IUPAC name of 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid (CID 68596128) is 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid.

What is the SMILES notation for 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid?

The canonical SMILES for 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C4CC4)ccn23)c1.O=CO.

What is the InChIKey of 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid?

The InChIKey is UZTREOCAGDBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O.CH2O2/c20-19(21,22)11-24-18(27)25-15-3-1-2-14(8-15)16-10-23-17-9-13(12-4-5-12)6-7-26(16)17;2-1-3/h1-3,6-10,12H,4-5,11H2,(H2,24,25,27);1H,(H,2,3).

What are the key properties of 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid?

1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid has a molecular weight of 420.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid is sourced from PubChem (CID 68596128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).