[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C22H18ClN5O3 — CID 46693314

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46693314) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46693314
• Molecular Formula: C22H18ClN5O3
• Molecular Weight: 435.87 g/mol
• Exact Mass: 435.11
• IUPAC Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCn1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C22H18ClN5O3/c1-2-28-21-17(12-25-28)16(10-18(26-21)14-6-4-3-5-7-14)22(30)31-13-20(29)27-19-9-8-15(23)11-24-19/h3-12H,2,13H2,1H3,(H,24,27,29)
• InChIKey: CLRWBRQEZZFRTI-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.87
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46693314) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc(-c3ccccc3)nc21.

What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is CLRWBRQEZZFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-2-28-21-17(12-25-28)16(10-18(26-21)14-6-4-3-5-7-14)22(30)31-13-20(29)27-19-9-8-15(23)11-24-19/h3-12H,2,13H2,1H3,(H,24,27,29).

What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 435.87 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46693314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).