1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine

C24H25N7O — CID 86707038

About 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine (PubChem CID 86707038) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine
• PubChem CID: 86707038
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine
• SMILES: c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncc(C5COC5)c4)cc32)c1
• InChI: InChI=1S/C24H25N7O/c1-3-23(30-7-2-5-25-6-8-30)29-24(4-1)31-22-10-21(27-13-19(22)14-28-31)18-9-17(11-26-12-18)20-15-32-16-20/h1,3-4,9-14,20,25H,2,5-8,15-16H2
• InChIKey: ACVVOPWTQGINNG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?

The IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine (CID 86707038) is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?

The canonical SMILES for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine is c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncc(C5COC5)c4)cc32)c1.

What is the InChIKey of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?

The InChIKey is ACVVOPWTQGINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-3-23(30-7-2-5-25-6-8-30)29-24(4-1)31-22-10-21(27-13-19(22)14-28-31)18-9-17(11-26-12-18)20-15-32-16-20/h1,3-4,9-14,20,25H,2,5-8,15-16H2.

What are the key properties of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine has a molecular weight of 427.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).