[4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

C27H26FN9O2 — CID 137312446

About [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

[4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 137312446) has the molecular formula C27H26FN9O2 and a molecular weight of 527.56 g/mol. Its IUPAC name is [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.

Molecular Properties

• Compound Name: [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
• PubChem CID: 137312446
• Molecular Formula: C27H26FN9O2
• Molecular Weight: 527.56 g/mol
• Exact Mass: 527.22
• IUPAC Name: [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
• SMILES: CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)c1
• InChI: InChI=1S/C27H26FN9O2/c1-36(2)8-9-39-17-11-15(10-16(28)12-17)23-24-20(6-7-29-23)31-27(32-24)26-25-21(33-34-26)5-4-19(30-25)18-13-37(3)35-22(18)14-38/h4-7,10-13,38H,8-9,14H2,1-3H3,(H,31,32)(H,33,34)
• InChIKey: SQQTUCOHWABISF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 133.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?

The IUPAC name of [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (CID 137312446) is [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.

What is the SMILES notation for [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?

The canonical SMILES for [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)c1.

What is the InChIKey of [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?

The InChIKey is SQQTUCOHWABISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN9O2/c1-36(2)8-9-39-17-11-15(10-16(28)12-17)23-24-20(6-7-29-23)31-27(32-24)26-25-21(33-34-26)5-4-19(30-25)18-13-37(3)35-22(18)14-38/h4-7,10-13,38H,8-9,14H2,1-3H3,(H,31,32)(H,33,34).

What are the key properties of [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?

[4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol has a molecular weight of 527.56 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 137312446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).