N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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

C42H38Cl2F2N10O2 — CID 159269357

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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 159269357) has the molecular formula C42H38Cl2F2N10O2 and a molecular weight of 823.74 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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: 159269357
• Molecular Formula: C42H38Cl2F2N10O2
• Molecular Weight: 823.74 g/mol
• Exact Mass: 822.25
• IUPAC Name: N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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
• SMILES: COCCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.COCCCn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
• InChI: InChI=1S/2C21H19ClFN5O/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;1-29-10-2-9-28-21-18(6-8-25-20(21)13-26-28)27-15-5-7-24-19(12-15)16-11-14(22)3-4-17(16)23/h3-8,11-13H,2,9-10H2,1H3,(H,24,26);3-8,11-13H,2,9-10H2,1H3,(H,24,25,27)
• InChIKey: KXMUTAJHKLJFGZ-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 129.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.74
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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]-1-(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?

The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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 (CID 159269357) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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.

What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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?

The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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 is COCCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.COCCCn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.

What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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?

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

What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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?

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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 823.74 g/mol, XLogP of 10.13, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(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 is sourced from PubChem (CID 159269357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).