2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane

C23H23N3O3 — CID 145491753

About 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane

2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane (PubChem CID 145491753) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane.

Molecular Properties

• Compound Name: 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane
• PubChem CID: 145491753
• Molecular Formula: C23H23N3O3
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.17
• IUPAC Name: 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane
• SMILES: CC.Oc1ccccc1-c1[nH]nc2ncc(-c3cccc([C@H]4COCO4)c3)cc12
• InChI: InChI=1S/C21H17N3O3.C2H6/c25-18-7-2-1-6-16(18)20-17-9-15(10-22-21(17)24-23-20)13-4-3-5-14(8-13)19-11-26-12-27-19;1-2/h1-10,19,25H,11-12H2,(H,22,23,24);1-2H3/t19-;/m1./s1
• InChIKey: LIVKENIXUYKFQJ-FSRHSHDFSA-N
• XLogP: 5.07
• TPSA: 80.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane?

The IUPAC name of 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane (CID 145491753) is 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane.

What is the SMILES notation for 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane?

The canonical SMILES for 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane is CC.Oc1ccccc1-c1[nH]nc2ncc(-c3cccc([C@H]4COCO4)c3)cc12.

What is the InChIKey of 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane?

The InChIKey is LIVKENIXUYKFQJ-FSRHSHDFSA-N. The full InChI is InChI=1S/C21H17N3O3.C2H6/c25-18-7-2-1-6-16(18)20-17-9-15(10-22-21(17)24-23-20)13-4-3-5-14(8-13)19-11-26-12-27-19;1-2/h1-10,19,25H,11-12H2,(H,22,23,24);1-2H3/t19-;/m1./s1.

What are the key properties of 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane?

2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane has a molecular weight of 389.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[(4S)-1,3-dioxolan-4-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenol;ethane is sourced from PubChem (CID 145491753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).