1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H19F3N6O2 — CID 143908026

About 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 143908026) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 143908026
• Molecular Formula: C21H19F3N6O2
• Molecular Weight: 444.42 g/mol
• Exact Mass: 444.15
• IUPAC Name: 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: COc1cn(C)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C21H19F3N6O2/c1-29-11-17(32-2)19(28-29)14-6-7-30-16(10-25-18(30)9-14)13-4-3-5-15(8-13)27-20(31)26-12-21(22,23)24/h3-11H,12H2,1-2H3,(H2,26,27,31)
• InChIKey: VPBKARCMLCXIIX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 85.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 143908026) is 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is COc1cn(C)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.

What is the InChIKey of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is VPBKARCMLCXIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-29-11-17(32-2)19(28-29)14-6-7-30-16(10-25-18(30)9-14)13-4-3-5-15(8-13)27-20(31)26-12-21(22,23)24/h3-11H,12H2,1-2H3,(H2,26,27,31).

What are the key properties of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 444.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 143908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).