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

C24H25N7O2 — CID 72715137

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

1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (PubChem CID 72715137) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.

Molecular Properties

• Compound Name: 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
• PubChem CID: 72715137
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
• SMILES: OC1CNCCN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)C1
• InChI: InChI=1S/C24H25N7O2/c32-20-12-25-4-5-30(13-20)23-2-1-3-24(29-23)31-22-7-21(27-10-18(22)11-28-31)17-6-16(8-26-9-17)19-14-33-15-19/h1-3,6-11,19-20,25,32H,4-5,12-15H2
• InChIKey: PFVAOPOASVOPOG-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (CID 72715137) is 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.

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

The canonical SMILES for 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is OC1CNCCN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)C1.

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

The InChIKey is PFVAOPOASVOPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-20-12-25-4-5-30(13-20)23-2-1-3-24(29-23)31-22-7-21(27-10-18(22)11-28-31)17-6-16(8-26-9-17)19-14-33-15-19/h1-3,6-11,19-20,25,32H,4-5,12-15H2.

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

1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol has a molecular weight of 443.51 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 72715137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).