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

C29H25FN8O — CID 137174364

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

3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 137174364) has the molecular formula C29H25FN8O and a molecular weight of 520.57 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• PubChem CID: 137174364
• Molecular Formula: C29H25FN8O
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.21
• IUPAC Name: 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• SMILES: Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C29H25FN8O/c30-20-9-18(10-21(39)11-20)22-4-5-32-28-26(22)34-29(35-28)27-23-12-24(33-15-25(23)36-37-27)19-8-17(13-31-14-19)16-38-6-2-1-3-7-38/h4-5,8-15,39H,1-3,6-7,16H2,(H,36,37)(H,32,34,35)
• InChIKey: MQGQYYQWSRCTOS-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 119.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 137174364) is 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)c1.

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

The InChIKey is MQGQYYQWSRCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O/c30-20-9-18(10-21(39)11-20)22-4-5-32-28-26(22)34-29(35-28)27-23-12-24(33-15-25(23)36-37-27)19-8-17(13-31-14-19)16-38-6-2-1-3-7-38/h4-5,8-15,39H,1-3,6-7,16H2,(H,36,37)(H,32,34,35).

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

3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 520.57 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 137174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).