5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

C64H73N11O6 — CID 123761063

IUPAC5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3cccc(C)n3)CC2)c2ccc(CC(C3CCN(Cc4cnccc4C#N)CC3)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C64H73N11O6/c1-38-12-11-13-49(69-38)37-73-24-19-45(20-25-73)41(4)74-42(5)60(64(79)68-35-53-58(81-8)29-40(3)71-62(53)77)51-30-44(16-17-55(51)74)31-56(46-21-26-72(27-22-46)36-48-33-66-23-18-47(48)32-65)75-43(6)59(50-14-9-10-15-54(50)75)63(78)67-34-52-57(80-7)28-39(2)70-61(52)76/h9-18,23,28-30,33,41,45-46,56H,19-22,24-27,31,34-37H2,1-8H3,(H,67,78)(H,68,79)(H,70,76)(H,71,77)
InChIKeyGDPUBDHHGVKECR-UHFFFAOYSA-N
MW1092.36 g/mol
LogP9.22
Rot. Bonds18

About 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123761063) has the molecular formula C64H73N11O6 and a molecular weight of 1092.36 g/mol. Its IUPAC name is 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID123761063
Molecular FormulaC64H73N11O6
Molecular Weight1092.36 g/mol
Exact Mass1091.57
IUPAC Name5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3cccc(C)n3)CC2)c2ccc(CC(C3CCN(Cc4cnccc4C#N)CC3)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C64H73N11O6/c1-38-12-11-13-49(69-38)37-73-24-19-45(20-25-73)41(4)74-42(5)60(64(79)68-35-53-58(81-8)29-40(3)71-62(53)77)51-30-44(16-17-55(51)74)31-56(46-21-26-72(27-22-46)36-48-33-66-23-18-47(48)32-65)75-43(6)59(50-14-9-10-15-54(50)75)63(78)67-34-52-57(80-7)28-39(2)70-61(52)76/h9-18,23,28-30,33,41,45-46,56H,19-22,24-27,31,34-37H2,1-8H3,(H,67,78)(H,68,79)(H,70,76)(H,71,77)
InChIKeyGDPUBDHHGVKECR-UHFFFAOYSA-N
XLogP9.22
TPSA208.29 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.36
LogP ≤ 59.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Lly-507
CID 91623361
5-[4-[4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]piperazine-1-carbonyl]-6-phenyl-2-pyridinyl]-2-methyl-1H-indole-3-carbonitrile
CID 46898084
1-[4-[4-[4-[2-(1,3-Dimethylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798374
1-[4-[4-[4-[2-(1-Methylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798382
1-[4-[4-[4-[2-(3-methyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798384
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(4-methylphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798391
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798424
1-methyl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]indole-3-carboxamide
CID 44401944
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(3-methylphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798390
US10301306, Example 118
CID 146012448
2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 156907530
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide
CID 155528100

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123761063) is 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3cccc(C)n3)CC2)c2ccc(CC(C3CCN(Cc4cnccc4C#N)CC3)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12.
What is the InChIKey of 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is GDPUBDHHGVKECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H73N11O6/c1-38-12-11-13-49(69-38)37-73-24-19-45(20-25-73)41(4)74-42(5)60(64(79)68-35-53-58(81-8)29-40(3)71-62(53)77)51-30-44(16-17-55(51)74)31-56(46-21-26-72(27-22-46)36-48-33-66-23-18-47(48)32-65)75-43(6)59(50-14-9-10-15-54(50)75)63(78)67-34-52-57(80-7)28-39(2)70-61(52)76/h9-18,23,28-30,33,41,45-46,56H,19-22,24-27,31,34-37H2,1-8H3,(H,67,78)(H,68,79)(H,70,76)(H,71,77).
What are the key properties of 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 1092.36 g/mol, XLogP of 9.22, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(4-cyano-3-pyridinyl)methyl]piperidin-4-yl]-2-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123761063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).