5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine

C43H32F2N16S — CID 162602275

About 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine

5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 162602275) has the molecular formula C43H32F2N16S and a molecular weight of 842.90 g/mol. Its IUPAC name is 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 162602275
• Molecular Formula: C43H32F2N16S
• Molecular Weight: 842.90 g/mol
• Exact Mass: 842.27
• IUPAC Name: 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
• SMILES: Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cscc6N6CC(c7cncc(CN8CCC(F)(F)C8)c7)=Cc7c(-c8nc9ccncc9[nH]8)n[nH]c76)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C43H32F2N16S/c44-43(45)2-4-60(21-43)17-22-5-23(10-48-9-22)26-8-29-38(40-52-32-1-3-47-15-33(32)53-40)57-59-42(29)61(18-26)35-20-62-19-31(35)30-14-50-16-34-36(30)55-41(54-34)37-28-7-25(12-51-39(28)58-56-37)24-6-27(46)13-49-11-24/h1,3,5-16,19-20H,2,4,17-18,21,46H2,(H,52,53)(H,54,55)(H,57,59)(H,51,56,58)
• InChIKey: NAIXGKQBOWAWKO-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 211.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	842.90
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine (CID 162602275) is 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine is Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cscc6N6CC(c7cncc(CN8CCC(F)(F)C8)c7)=Cc7c(-c8nc9ccncc9[nH]8)n[nH]c76)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is NAIXGKQBOWAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F2N16S/c44-43(45)2-4-60(21-43)17-22-5-23(10-48-9-22)26-8-29-38(40-52-32-1-3-47-15-33(32)53-40)57-59-42(29)61(18-26)35-20-62-19-31(35)30-14-50-16-34-36(30)55-41(54-34)37-28-7-25(12-51-39(28)58-56-37)24-6-27(46)13-49-11-24/h1,3,5-16,19-20H,2,4,17-18,21,46H2,(H,52,53)(H,54,55)(H,57,59)(H,51,56,58).

What are the key properties of 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine?

5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 842.90 g/mol, XLogP of 7.86, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]thiophen-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 162602275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).