N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C56H50N16O2 — CID 137156423

About N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137156423) has the molecular formula C56H50N16O2 and a molecular weight of 979.13 g/mol. Its IUPAC name is N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 137156423
• Molecular Formula: C56H50N16O2
• Molecular Weight: 979.13 g/mol
• Exact Mass: 978.43
• IUPAC Name: N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCC(c7cc(-c8cncc(NC(=O)C9CCCCC9)c8)cc8c(-c9nc%10c(-c%11ccccn%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C56H50N16O2/c1-2-48(73)62-37-17-35(22-57-24-37)32-13-14-44-40(19-32)51(70-68-44)54-65-46-28-60-29-47(53(46)67-54)72-16-8-11-33(30-72)39-20-34(36-18-38(25-58-23-36)63-56(74)31-9-4-3-5-10-31)21-41-49(39)69-71-52(41)55-64-45-27-59-26-42(50(45)66-55)43-12-6-7-15-61-43/h6-7,12-15,17-29,31,33H,2-5,8-11,16,30H2,1H3,(H,62,73)(H,63,74)(H,64,66)(H,65,67)(H,68,70)(H,69,71)
• InChIKey: NPXOPCBRIWZXFU-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 240.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	979.13
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137156423) is N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCC(c7cc(-c8cncc(NC(=O)C9CCCCC9)c8)cc8c(-c9nc%10c(-c%11ccccn%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The InChIKey is NPXOPCBRIWZXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N16O2/c1-2-48(73)62-37-17-35(22-57-24-37)32-13-14-44-40(19-32)51(70-68-44)54-65-46-28-60-29-47(53(46)67-54)72-16-8-11-33(30-72)39-20-34(36-18-38(25-58-23-36)63-56(74)31-9-4-3-5-10-31)21-41-49(39)69-71-52(41)55-64-45-27-59-26-42(50(45)66-55)43-12-6-7-15-61-43/h6-7,12-15,17-29,31,33H,2-5,8-11,16,30H2,1H3,(H,62,73)(H,63,74)(H,64,66)(H,65,67)(H,68,70)(H,69,71).

What are the key properties of N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 979.13 g/mol, XLogP of 10.75, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[1-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-3-yl]-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137156423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).