N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine

C21H19ClFN5O — CID 54671352

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671352) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine
• PubChem CID: 54671352
• Molecular Formula: C21H19ClFN5O
• Molecular Weight: 411.87 g/mol
• Exact Mass: 411.13
• IUPAC Name: N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine
• SMILES: COCCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
• InChI: InChI=1S/C21H19ClFN5O/c1-29-10-2-9-28-13-20-21(27-28)18(6-8-25-20)26-15-5-7-24-19(12-15)16-11-14(22)3-4-17(16)23/h3-8,11-13H,2,9-10H2,1H3,(H,24,26)
• InChIKey: ODUHHNARRZOJOA-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.87
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine?

The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671352) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine.

What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine?

The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine is COCCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.

What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine?

The InChIKey is ODUHHNARRZOJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c1-29-10-2-9-28-13-20-21(27-28)18(6-8-25-20)26-15-5-7-24-19(12-15)16-11-14(22)3-4-17(16)23/h3-8,11-13H,2,9-10H2,1H3,(H,24,26).

What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine?

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 411.87 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).