N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

C56H38F2N14OS2 — CID 145034719

About N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 145034719) has the molecular formula C56H38F2N14OS2 and a molecular weight of 1025.15 g/mol. Its IUPAC name is N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 145034719
• Molecular Formula: C56H38F2N14OS2
• Molecular Weight: 1025.15 g/mol
• Exact Mass: 1024.28
• IUPAC Name: N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3c(-c3csc(-c4nccc5[nH]c(-c6n[nH]c7cc(F)c(-c8cncc(CN9CCCC9)c8)cc67)nc45)c3)c2F)c1)c1ccccc1
• InChI: InChI=1S/C56H38F2N14OS2/c57-39-22-42-37(20-35(39)31-17-29(23-59-24-31)27-72-14-4-5-15-72)48(70-68-42)54-64-41-11-13-62-53(51(41)67-54)44-19-33(28-75-44)45-46(58)36(32-18-34(26-60-25-32)63-56(73)30-7-2-1-3-8-30)21-38-47(45)69-71-49(38)55-65-40-10-12-61-52(50(40)66-55)43-9-6-16-74-43/h1-3,6-13,16-26,28H,4-5,14-15,27H2,(H,63,73)(H,64,67)(H,65,66)(H,68,70)(H,69,71)
• InChIKey: XTBYYSLYYCQUED-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 198.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.15
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 145034719) is N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3c(-c3csc(-c4nccc5[nH]c(-c6n[nH]c7cc(F)c(-c8cncc(CN9CCCC9)c8)cc67)nc45)c3)c2F)c1)c1ccccc1.

What is the InChIKey of N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?

The InChIKey is XTBYYSLYYCQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38F2N14OS2/c57-39-22-42-37(20-35(39)31-17-29(23-59-24-31)27-72-14-4-5-15-72)48(70-68-42)54-64-41-11-13-62-53(51(41)67-54)44-19-33(28-75-44)45-46(58)36(32-18-34(26-60-25-32)63-56(73)30-7-2-1-3-8-30)21-38-47(45)69-71-49(38)55-65-40-10-12-61-52(50(40)66-55)43-9-6-16-74-43/h1-3,6-13,16-26,28H,4-5,14-15,27H2,(H,63,73)(H,64,67)(H,65,66)(H,68,70)(H,69,71).

What are the key properties of N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?

N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 1025.15 g/mol, XLogP of 12.69, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 145034719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).