1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C27H23FN8O — CID 136937656

About 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 136937656) has the molecular formula C27H23FN8O and a molecular weight of 494.53 g/mol. Its IUPAC name is 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 136937656
• Molecular Formula: C27H23FN8O
• Molecular Weight: 494.53 g/mol
• Exact Mass: 494.20
• IUPAC Name: 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN(C)C)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C27H23FN8O/c1-36(2)14-15-6-17(12-29-11-15)22-10-21-23(13-31-22)34-35-25(21)27-32-24-20(4-5-30-26(24)33-27)16-7-18(28)9-19(8-16)37-3/h4-13H,14H2,1-3H3,(H,34,35)(H,30,32,33)
• InChIKey: BESNYBFPPDFDRN-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.53
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 136937656) is 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

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

The canonical SMILES for 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN(C)C)c6)cc45)[nH]c23)c1.

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

The InChIKey is BESNYBFPPDFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O/c1-36(2)14-15-6-17(12-29-11-15)22-10-21-23(13-31-22)34-35-25(21)27-32-24-20(4-5-30-26(24)33-27)16-7-18(28)9-19(8-16)37-3/h4-13H,14H2,1-3H3,(H,34,35)(H,30,32,33).

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

1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 494.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 136937656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).