4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine

C28H22FN7 — CID 70921849

About 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine

4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 70921849) has the molecular formula C28H22FN7 and a molecular weight of 475.53 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
• PubChem CID: 70921849
• Molecular Formula: C28H22FN7
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.19
• IUPAC Name: 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
• SMILES: CC(Nc1cc(-c2cn(-c3cnc4cn[nH]c4c3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1
• InChI: InChI=1S/C28H22FN7/c1-18(19-5-3-2-4-6-19)33-27-13-21(11-12-30-27)24-17-36(23-14-25-26(31-15-23)16-32-34-25)35-28(24)20-7-9-22(29)10-8-20/h2-18H,1H3,(H,30,33)(H,32,34)
• InChIKey: DREWVKKXTHCNOQ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?

The IUPAC name of 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 70921849) is 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.

What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?

The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is CC(Nc1cc(-c2cn(-c3cnc4cn[nH]c4c3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1.

What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?

The InChIKey is DREWVKKXTHCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7/c1-18(19-5-3-2-4-6-19)33-27-13-21(11-12-30-27)24-17-36(23-14-25-26(31-15-23)16-32-34-25)35-28(24)20-7-9-22(29)10-8-20/h2-18H,1H3,(H,30,33)(H,32,34).

What are the key properties of 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?

4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 475.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 70921849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).