2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

C25H28F2N4O5 — CID 175172795

About 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 175172795) has the molecular formula C25H28F2N4O5 and a molecular weight of 502.52 g/mol. Its IUPAC name is 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
• PubChem CID: 175172795
• Molecular Formula: C25H28F2N4O5
• Molecular Weight: 502.52 g/mol
• Exact Mass: 502.20
• IUPAC Name: 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
• SMILES: Cc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(NC(=O)OC(C)(C)C)cc3F)nc2c1
• InChI: InChI=1S/C25H28F2N4O5/c1-14-5-6-31-19(12-16-13-30(24(33)34)7-8-35-16)22(29-20(31)9-14)21-17(26)10-15(11-18(21)27)28-23(32)36-25(2,3)4/h5-6,9-11,16H,7-8,12-13H2,1-4H3,(H,28,32)(H,33,34)
• InChIKey: KLGSEQWYYWTPBD-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 105.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.52
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The IUPAC name of 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (CID 175172795) is 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

What is the SMILES notation for 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The canonical SMILES for 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is Cc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(NC(=O)OC(C)(C)C)cc3F)nc2c1.

What is the InChIKey of 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The InChIKey is KLGSEQWYYWTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O5/c1-14-5-6-31-19(12-16-13-30(24(33)34)7-8-35-16)22(29-20(31)9-14)21-17(26)10-15(11-18(21)27)28-23(32)36-25(2,3)4/h5-6,9-11,16H,7-8,12-13H2,1-4H3,(H,28,32)(H,33,34).

What are the key properties of 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 502.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 175172795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).