1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

C22H20F2N6O — CID 162586785

About 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 162586785) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• PubChem CID: 162586785
• Molecular Formula: C22H20F2N6O
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.17
• IUPAC Name: 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• SMILES: Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(C)(F)F)c4)cnc3c2)cn1
• InChI: InChI=1S/C22H20F2N6O/c1-14-10-26-18(11-25-14)15-6-7-30-19(12-27-20(30)9-15)16-4-3-5-17(8-16)29-21(31)28-13-22(2,23)24/h3-12H,13H2,1-2H3,(H2,28,29,31)
• InChIKey: XDPHXPVAQMCEJY-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The IUPAC name of 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 162586785) is 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

What is the SMILES notation for 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The canonical SMILES for 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(C)(F)F)c4)cnc3c2)cn1.

What is the InChIKey of 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The InChIKey is XDPHXPVAQMCEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-14-10-26-18(11-25-14)15-6-7-30-19(12-27-20(30)9-15)16-4-3-5-17(8-16)29-21(31)28-13-22(2,23)24/h3-12H,13H2,1-2H3,(H2,28,29,31).

What are the key properties of 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 422.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoropropyl)-3-[3-[7-(5-methylpyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 162586785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).