5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine

C22H17N7O2S2 — CID 137116452

About 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137116452) has the molecular formula C22H17N7O2S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137116452
• Molecular Formula: C22H17N7O2S2
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.09
• IUPAC Name: 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cn1cc(-c2cc3c(-c4cc5c(-c6ccc(S(C)(=O)=O)s6)cncc5[nH]4)n[nH]c3cn2)cn1
• InChI: InChI=1S/C22H17N7O2S2/c1-29-11-12(7-25-29)16-6-14-19(10-24-16)27-28-22(14)17-5-13-15(8-23-9-18(13)26-17)20-3-4-21(32-20)33(2,30)31/h3-11,26H,1-2H3,(H,27,28)
• InChIKey: AOCPOGQEKJAJRW-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 122.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 137116452) is 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine is Cn1cc(-c2cc3c(-c4cc5c(-c6ccc(S(C)(=O)=O)s6)cncc5[nH]4)n[nH]c3cn2)cn1.

What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is AOCPOGQEKJAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2S2/c1-29-11-12(7-25-29)16-6-14-19(10-24-16)27-28-22(14)17-5-13-15(8-23-9-18(13)26-17)20-3-4-21(32-20)33(2,30)31/h3-11,26H,1-2H3,(H,27,28).

What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?

5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 475.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137116452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).