[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol

C30H21FN8O — CID 137281354

About [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol

[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol (PubChem CID 137281354) has the molecular formula C30H21FN8O and a molecular weight of 528.55 g/mol. Its IUPAC name is [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol.

Molecular Properties

• Compound Name: [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
• PubChem CID: 137281354
• Molecular Formula: C30H21FN8O
• Molecular Weight: 528.55 g/mol
• Exact Mass: 528.18
• IUPAC Name: [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
• SMILES: OC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1)c1ccccc1
• InChI: InChI=1S/C30H21FN8O/c31-20-8-4-7-18(13-20)22-11-12-33-28-25(22)36-29(37-28)27-26-24(38-39-27)10-9-23(35-26)19-14-21(16-32-15-19)34-30(40)17-5-2-1-3-6-17/h1-16,30,34,40H,(H,38,39)(H,33,36,37)
• InChIKey: GQUBONOHLFINBD-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 128.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.55
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol?

The IUPAC name of [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol (CID 137281354) is [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol.

What is the SMILES notation for [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol?

The canonical SMILES for [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol is OC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1)c1ccccc1.

What is the InChIKey of [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol?

The InChIKey is GQUBONOHLFINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN8O/c31-20-8-4-7-18(13-20)22-11-12-33-28-25(22)36-29(37-28)27-26-24(38-39-27)10-9-23(35-26)19-14-21(16-32-15-19)34-30(40)17-5-2-1-3-6-17/h1-16,30,34,40H,(H,38,39)(H,33,36,37).

What are the key properties of [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol?

[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol has a molecular weight of 528.55 g/mol, XLogP of 5.87, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol is sourced from PubChem (CID 137281354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).