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

C57H62N14O4 — CID 155017790

IUPAC5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(CN5CCCC5)nc4)c4cc(-c5cncc(CN6CCOCC6)c5)ccc43)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C57H62N14O4/c72-56(54-50-27-41(3-9-52(50)64-65-54)43-25-39(29-58-31-43)35-69-17-21-74-22-18-69)62-45-5-8-48(61-33-45)38-68-15-11-49(12-16-68)71-53-10-4-42(44-26-40(30-59-32-44)36-70-19-23-75-24-20-70)28-51(53)55(66-71)57(73)63-46-6-7-47(60-34-46)37-67-13-1-2-14-67/h3-10,25-34,49H,1-2,11-24,35-38H2,(H,62,72)(H,63,73)(H,64,65)
InChIKeyOWHWDOANPSMQKH-UHFFFAOYSA-N
MW1007.22 g/mol
LogP7.43
Rot. Bonds15

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

5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 155017790) has the molecular formula C57H62N14O4 and a molecular weight of 1007.22 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID155017790
Molecular FormulaC57H62N14O4
Molecular Weight1007.22 g/mol
Exact Mass1006.51
IUPAC Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(CN5CCCC5)nc4)c4cc(-c5cncc(CN6CCOCC6)c5)ccc43)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C57H62N14O4/c72-56(54-50-27-41(3-9-52(50)64-65-54)43-25-39(29-58-31-43)35-69-17-21-74-22-18-69)62-45-5-8-48(61-33-45)38-68-15-11-49(12-16-68)71-53-10-4-42(44-26-40(30-59-32-44)36-70-19-23-75-24-20-70)28-51(53)55(66-71)57(73)63-46-6-7-47(60-34-46)37-67-13-1-2-14-67/h3-10,25-34,49H,1-2,11-24,35-38H2,(H,62,72)(H,63,73)(H,64,65)
InChIKeyOWHWDOANPSMQKH-UHFFFAOYSA-N
XLogP7.43
TPSA187.68 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.22
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (CID 155017790) is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is O=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(CN5CCCC5)nc4)c4cc(-c5cncc(CN6CCOCC6)c5)ccc43)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is OWHWDOANPSMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62N14O4/c72-56(54-50-27-41(3-9-52(50)64-65-54)43-25-39(29-58-31-43)35-69-17-21-74-22-18-69)62-45-5-8-48(61-33-45)38-68-15-11-49(12-16-68)71-53-10-4-42(44-26-40(30-59-32-44)36-70-19-23-75-24-20-70)28-51(53)55(66-71)57(73)63-46-6-7-47(60-34-46)37-67-13-1-2-14-67/h3-10,25-34,49H,1-2,11-24,35-38H2,(H,62,72)(H,63,73)(H,64,65).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 1007.22 g/mol, XLogP of 7.43, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-2-pyridinyl]methyl]piperidin-4-yl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 155017790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).