5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid

C22H20FN7O6 — CID 177200153

About 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid

5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 177200153) has the molecular formula C22H20FN7O6 and a molecular weight of 497.44 g/mol. Its IUPAC name is 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
• PubChem CID: 177200153
• Molecular Formula: C22H20FN7O6
• Molecular Weight: 497.44 g/mol
• Exact Mass: 497.15
• IUPAC Name: 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Nc2nccn(-c3ncccc3F)c2=O)nc2c(C(=O)O)onc12
• InChI: InChI=1S/C22H20FN7O6/c1-22(2,3)35-21(34)29(4)12-10-13(26-15-14(12)28-36-16(15)20(32)33)27-17-19(31)30(9-8-24-17)18-11(23)6-5-7-25-18/h5-10H,1-4H3,(H,32,33)(H,24,26,27)
• InChIKey: QIOKASWOHMPLIG-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 165.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.44
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?

The IUPAC name of 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid (CID 177200153) is 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid is CN(C(=O)OC(C)(C)C)c1cc(Nc2nccn(-c3ncccc3F)c2=O)nc2c(C(=O)O)onc12.

What is the InChIKey of 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?

The InChIKey is QIOKASWOHMPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O6/c1-22(2,3)35-21(34)29(4)12-10-13(26-15-14(12)28-36-16(15)20(32)33)27-17-19(31)30(9-8-24-17)18-11(23)6-5-7-25-18/h5-10H,1-4H3,(H,32,33)(H,24,26,27).

What are the key properties of 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?

5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 497.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(3-fluoro-2-pyridinyl)-3-oxopyrazin-2-yl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 177200153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).