N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide

C21H17ClN6O — CID 151976993

About N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide

N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide (PubChem CID 151976993) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide
• PubChem CID: 151976993
• Molecular Formula: C21H17ClN6O
• Molecular Weight: 404.86 g/mol
• Exact Mass: 404.12
• IUPAC Name: N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(-n2cc3cc(-c4ccccn4)cnc3n2)c1)N1CCC1
• InChI: InChI=1S/C21H17ClN6O/c22-17-6-5-16(25-21(29)27-8-3-9-27)11-19(17)28-13-15-10-14(12-24-20(15)26-28)18-4-1-2-7-23-18/h1-2,4-7,10-13H,3,8-9H2,(H,25,29)
• InChIKey: UBWDDONGQWCHNI-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.86
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide?

The IUPAC name of N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide (CID 151976993) is N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide.

What is the SMILES notation for N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide?

The canonical SMILES for N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(Cl)c(-n2cc3cc(-c4ccccn4)cnc3n2)c1)N1CCC1.

What is the InChIKey of N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide?

The InChIKey is UBWDDONGQWCHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c22-17-6-5-16(25-21(29)27-8-3-9-27)11-19(17)28-13-15-10-14(12-24-20(15)26-28)18-4-1-2-7-23-18/h1-2,4-7,10-13H,3,8-9H2,(H,25,29).

What are the key properties of N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide?

N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 151976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).