3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol

C21H13FN8O — CID 136947536

About 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol

3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 136947536) has the molecular formula C21H13FN8O and a molecular weight of 412.39 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol
• PubChem CID: 136947536
• Molecular Formula: C21H13FN8O
• Molecular Weight: 412.39 g/mol
• Exact Mass: 412.12
• IUPAC Name: 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)c1
• InChI: InChI=1S/C21H13FN8O/c22-12-1-10(2-13(31)3-12)15-7-23-8-18-19(15)28-21(27-18)20-14-4-16(11-5-25-26-6-11)24-9-17(14)29-30-20/h1-9,31H,(H,25,26)(H,27,28)(H,29,30)
• InChIKey: VXMSDPUVPBGFRE-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 132.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.39
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol?

The IUPAC name of 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol (CID 136947536) is 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol.

What is the SMILES notation for 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol?

The canonical SMILES for 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)c1.

What is the InChIKey of 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol?

The InChIKey is VXMSDPUVPBGFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN8O/c22-12-1-10(2-13(31)3-12)15-7-23-8-18-19(15)28-21(27-18)20-14-4-16(11-5-25-26-6-11)24-9-17(14)29-30-20/h1-9,31H,(H,25,26)(H,27,28)(H,29,30).

What are the key properties of 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol?

3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 412.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 136947536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).