N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H20ClN5O2 — CID 55504407

About N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55504407) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55504407
• Molecular Formula: C25H20ClN5O2
• Molecular Weight: 457.92 g/mol
• Exact Mass: 457.13
• IUPAC Name: N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccccc1Cl
• InChI: InChI=1S/C25H20ClN5O2/c1-16(19-8-2-3-9-22(19)26)29-25(32)20-12-23(17-6-4-10-27-13-17)30-24-21(20)14-28-31(24)15-18-7-5-11-33-18/h2-14,16H,15H2,1H3,(H,29,32)
• InChIKey: QTYXURYCLZBQMB-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.92
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55504407) is N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccccc1Cl.

What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is QTYXURYCLZBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-16(19-8-2-3-9-22(19)26)29-25(32)20-12-23(17-6-4-10-27-13-17)30-24-21(20)14-28-31(24)15-18-7-5-11-33-18/h2-14,16H,15H2,1H3,(H,29,32).

What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55504407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).