N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

C54H38F2N16OS2 — CID 145037804

About N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145037804) has the molecular formula C54H38F2N16OS2 and a molecular weight of 1029.14 g/mol. Its IUPAC name is N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 145037804
• Molecular Formula: C54H38F2N16OS2
• Molecular Weight: 1029.14 g/mol
• Exact Mass: 1028.28
• IUPAC Name: N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: CN(C)Cc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cscc6-c6nc(-c7cncc(NC(=O)Cc8ccccc8)c7)c(F)c7c(-c8nc9c(-c%10ccsc%10)cncc9[nH]8)nn(C)c67)cncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C54H38F2N16OS2/c1-71(2)23-28-11-30(15-57-14-28)45-43(55)41-37(22-61-45)68-69-50(41)53-63-39-21-60-19-34(48(39)67-53)35-25-75-26-36(35)49-52-42(51(70-72(52)3)54-64-38-20-59-18-33(47(38)66-54)29-9-10-74-24-29)44(56)46(65-49)31-13-32(17-58-16-31)62-40(73)12-27-7-5-4-6-8-27/h4-11,13-22,24-26H,12,23H2,1-3H3,(H,62,73)(H,63,67)(H,64,66)(H,68,69)
• InChIKey: ARGSSMKKGFSCMJ-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 213.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.14
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 145037804) is N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is CN(C)Cc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cscc6-c6nc(-c7cncc(NC(=O)Cc8ccccc8)c7)c(F)c7c(-c8nc9c(-c%10ccsc%10)cncc9[nH]8)nn(C)c67)cncc5[nH]4)c3c2F)c1.

What is the InChIKey of N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is ARGSSMKKGFSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38F2N16OS2/c1-71(2)23-28-11-30(15-57-14-28)45-43(55)41-37(22-61-45)68-69-50(41)53-63-39-21-60-19-34(48(39)67-53)35-25-75-26-36(35)49-52-42(51(70-72(52)3)54-64-38-20-59-18-33(47(38)66-54)29-9-10-74-24-29)44(56)46(65-49)31-13-32(17-58-16-31)62-40(73)12-27-7-5-4-6-8-27/h4-11,13-22,24-26H,12,23H2,1-3H3,(H,62,73)(H,63,67)(H,64,66)(H,68,69).

What are the key properties of N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 1029.14 g/mol, XLogP of 10.89, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145037804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).