N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C25H21FN6O — CID 67469529

About N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469529) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
• PubChem CID: 67469529
• Molecular Formula: C25H21FN6O
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.18
• IUPAC Name: N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
• SMILES: COc1ccc(Cn2cc3nccc(Nc4ccnc(-c5nc(C)ccc5F)c4)c3n2)cc1
• InChI: InChI=1S/C25H21FN6O/c1-16-3-8-20(26)24(29-16)22-13-18(9-11-27-22)30-21-10-12-28-23-15-32(31-25(21)23)14-17-4-6-19(33-2)7-5-17/h3-13,15H,14H2,1-2H3,(H,27,30)
• InChIKey: QIPLNTPSOYGHDE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?

The IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469529) is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

What is the SMILES notation for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?

The canonical SMILES for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2cc3nccc(Nc4ccnc(-c5nc(C)ccc5F)c4)c3n2)cc1.

What is the InChIKey of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?

The InChIKey is QIPLNTPSOYGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-16-3-8-20(26)24(29-16)22-13-18(9-11-27-22)30-21-10-12-28-23-15-32(31-25(21)23)14-17-4-6-19(33-2)7-5-17/h3-13,15H,14H2,1-2H3,(H,27,30).

What are the key properties of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 440.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).