[1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

C22H18N8OS — CID 137312429

About [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

[1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (PubChem CID 137312429) has the molecular formula C22H18N8OS and a molecular weight of 442.51 g/mol. Its IUPAC name is [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.

Molecular Properties

• Compound Name: [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
• PubChem CID: 137312429
• Molecular Formula: C22H18N8OS
• Molecular Weight: 442.51 g/mol
• Exact Mass: 442.13
• IUPAC Name: [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
• SMILES: Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)s1
• InChI: InChI=1S/C22H18N8OS/c1-11-3-6-17(32-11)20-18-14(7-8-23-20)25-22(26-18)21-19-15(27-28-21)5-4-13(24-19)12-9-30(2)29-16(12)10-31/h3-9,31H,10H2,1-2H3,(H,25,26)(H,27,28)
• InChIKey: AGDYNAKXQWTEAW-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 121.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.51
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?

The IUPAC name of [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (CID 137312429) is [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.

What is the SMILES notation for [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?

The canonical SMILES for [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)s1.

What is the InChIKey of [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?

The InChIKey is AGDYNAKXQWTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8OS/c1-11-3-6-17(32-11)20-18-14(7-8-23-20)25-22(26-18)21-19-15(27-28-21)5-4-13(24-19)12-9-30(2)29-16(12)10-31/h3-9,31H,10H2,1-2H3,(H,25,26)(H,27,28).

What are the key properties of [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?

[1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol has a molecular weight of 442.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is sourced from PubChem (CID 137312429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).