7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C44H33N13S2 — CID 137034005

About 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137034005) has the molecular formula C44H33N13S2 and a molecular weight of 807.97 g/mol. Its IUPAC name is 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137034005
• Molecular Formula: C44H33N13S2
• Molecular Weight: 807.97 g/mol
• Exact Mass: 807.24
• IUPAC Name: 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ncc(-c2cc3c(-c4cc5c(-c6csc(-c7nc(C8=CCNCC8)cc8c(-c9cc%10c(-c%11ccsc%11)nccc%10[nH]9)n[nH]c78)c6)nccc5[nH]4)n[nH]c3cn2)n1C
• InChI: InChI=1S/C44H33N13S2/c1-22-48-19-37(57(22)2)33-14-28-36(18-49-33)53-54-41(28)34-16-27-31(50-34)6-11-47-40(27)25-13-38(59-21-25)44-43-29(17-32(52-44)23-3-8-45-9-4-23)42(55-56-43)35-15-26-30(51-35)5-10-46-39(26)24-7-12-58-20-24/h3,5-7,10-21,45,50-51H,4,8-9H2,1-2H3,(H,53,54)(H,55,56)
• InChIKey: AIVVEKDRKOMVOC-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 170.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.97
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137034005) is 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1ncc(-c2cc3c(-c4cc5c(-c6csc(-c7nc(C8=CCNCC8)cc8c(-c9cc%10c(-c%11ccsc%11)nccc%10[nH]9)n[nH]c78)c6)nccc5[nH]4)n[nH]c3cn2)n1C.

What is the InChIKey of 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is AIVVEKDRKOMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N13S2/c1-22-48-19-37(57(22)2)33-14-28-36(18-49-33)53-54-41(28)34-16-27-31(50-34)6-11-47-40(27)25-13-38(59-21-25)44-43-29(17-32(52-44)23-3-8-45-9-4-23)42(55-56-43)35-15-26-30(51-35)5-10-46-39(26)24-7-12-58-20-24/h3,5-7,10-21,45,50-51H,4,8-9H2,1-2H3,(H,53,54)(H,55,56).

What are the key properties of 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 807.97 g/mol, XLogP of 9.53, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137034005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).