N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

C58H46F2N14O3 — CID 145034162

About N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145034162) has the molecular formula C58H46F2N14O3 and a molecular weight of 1025.10 g/mol. Its IUPAC name is N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 145034162
• Molecular Formula: C58H46F2N14O3
• Molecular Weight: 1025.10 g/mol
• Exact Mass: 1024.38
• IUPAC Name: N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: C/C=C(C(/F)=c1/c(-c2nc3c(-c4cocc4-c4c(C)c(-c5cncc(NC(=O)Cc6ccccc6)c5)c(F)c5c(-c6nc7c(-c8ccoc8)nccc7[nH]6)n[nH]c45)nccc3[nH]2)n[nH]/c1=C/C)\c1cncc(CN(C)C)c1
• InChI: InChI=1S/C58H46F2N14O3/c1-6-37(34-19-32(22-61-23-34)26-74(4)5)48(59)46-40(7-2)70-72-55(46)57-67-42-14-17-64-51(53(42)69-57)39-29-77-28-38(39)45-30(3)44(35-21-36(25-62-24-35)65-43(75)20-31-11-9-8-10-12-31)49(60)47-54(45)71-73-56(47)58-66-41-13-16-63-50(52(41)68-58)33-15-18-76-27-33/h6-19,21-25,27-29,70H,20,26H2,1-5H3,(H,65,75)(H,66,68)(H,67,69)(H,71,73)/b37-6+,40-7+,48-46-
• InChIKey: USVGRXVMTJFZOW-XGSCJCPISA-N
• XLogP: 10.48
• TPSA: 224.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.10
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 145034162) is N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is C/C=C(C(/F)=c1/c(-c2nc3c(-c4cocc4-c4c(C)c(-c5cncc(NC(=O)Cc6ccccc6)c5)c(F)c5c(-c6nc7c(-c8ccoc8)nccc7[nH]6)n[nH]c45)nccc3[nH]2)n[nH]/c1=C/C)\c1cncc(CN(C)C)c1.

What is the InChIKey of N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is USVGRXVMTJFZOW-XGSCJCPISA-N. The full InChI is InChI=1S/C58H46F2N14O3/c1-6-37(34-19-32(22-61-23-34)26-74(4)5)48(59)46-40(7-2)70-72-55(46)57-67-42-14-17-64-51(53(42)69-57)39-29-77-28-38(39)45-30(3)44(35-21-36(25-62-24-35)65-43(75)20-31-11-9-8-10-12-31)49(60)47-54(45)71-73-56(47)58-66-41-13-16-63-50(52(41)68-58)33-15-18-76-27-33/h6-19,21-25,27-29,70H,20,26H2,1-5H3,(H,65,75)(H,66,68)(H,67,69)(H,71,73)/b37-6+,40-7+,48-46-.

What are the key properties of N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 1025.10 g/mol, XLogP of 10.48, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145034162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).