[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C27H32N4O5 — CID 46694486

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46694486) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46694486
• Molecular Formula: C27H32N4O5
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.24
• IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CC(OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C27H32N4O5/c1-16(2)31-25-21(15-28-31)20(27(33)36-17(3)26(32)29-19-7-5-4-6-8-19)14-22(30-25)18-9-10-23-24(13-18)35-12-11-34-23/h9-10,13-17,19H,4-8,11-12H2,1-3H3,(H,29,32)
• InChIKey: FFCHUUYVNUYYLW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46694486) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(=O)NC1CCCCC1.

What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is FFCHUUYVNUYYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-16(2)31-25-21(15-28-31)20(27(33)36-17(3)26(32)29-19-7-5-4-6-8-19)14-22(30-25)18-9-10-23-24(13-18)35-12-11-34-23/h9-10,13-17,19H,4-8,11-12H2,1-3H3,(H,29,32).

What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 492.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).