N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide

C59H67N15O3 — CID 155017807

About N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide

N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide (PubChem CID 155017807) has the molecular formula C59H67N15O3 and a molecular weight of 1034.29 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide
• PubChem CID: 155017807
• Molecular Formula: C59H67N15O3
• Molecular Weight: 1034.29 g/mol
• Exact Mass: 1033.56
• IUPAC Name: N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(CN2CCN(Cn3nc(C(=O)Nc4ccc(CN5CCOCC5)nc4)c4cc(-c5cncc(CN6CCCCC6)c5)ccc43)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C59H67N15O3/c75-58(56-52-29-44(7-13-54(52)66-67-56)46-27-42(31-60-33-46)37-69-15-3-1-4-16-69)64-48-9-11-50(62-35-48)39-71-19-21-73(22-20-71)41-74-55-14-8-45(47-28-43(32-61-34-47)38-70-17-5-2-6-18-70)30-53(55)57(68-74)59(76)65-49-10-12-51(63-36-49)40-72-23-25-77-26-24-72/h7-14,27-36H,1-6,15-26,37-41H2,(H,64,75)(H,65,76)(H,66,67)
• InChIKey: QCFNHCFMZSYSKJ-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 181.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1034.29
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide?

The IUPAC name of N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide (CID 155017807) is N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide.

What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide?

The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide is O=C(Nc1ccc(CN2CCN(Cn3nc(C(=O)Nc4ccc(CN5CCOCC5)nc4)c4cc(-c5cncc(CN6CCCCC6)c5)ccc43)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide?

The InChIKey is QCFNHCFMZSYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H67N15O3/c75-58(56-52-29-44(7-13-54(52)66-67-56)46-27-42(31-60-33-46)37-69-15-3-1-4-16-69)64-48-9-11-50(62-35-48)39-71-19-21-73(22-20-71)41-74-55-14-8-45(47-28-43(32-61-34-47)38-70-17-5-2-6-18-70)30-53(55)57(68-74)59(76)65-49-10-12-51(63-36-49)40-72-23-25-77-26-24-72/h7-14,27-36H,1-6,15-26,37-41H2,(H,64,75)(H,65,76)(H,66,67).

What are the key properties of N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide?

N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide has a molecular weight of 1034.29 g/mol, XLogP of 7.91, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[4-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperazin-1-yl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 155017807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).