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

C63H78N10O7 — CID 123207426

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C3CCN(C)CC3)CC2)c2ccc(C3CN(Cc4cccnc4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C63H78N10O7/c1-37-29-55(79-8)50(59(74)67-37)33-65-61(76)57-41(5)73(53-15-11-10-14-48(53)57)40(4)47-22-26-70(35-43-13-12-23-64-32-43)36-52(47)46-16-17-54-49(31-46)58(62(77)66-34-51-56(80-9)30-38(2)68-60(51)75)42(6)72(54)39(3)44-20-27-71(28-21-44)63(78)45-18-24-69(7)25-19-45/h10-17,23,29-32,39-40,44-45,47,52H,18-22,24-28,33-36H2,1-9H3,(H,65,76)(H,66,77)(H,67,74)(H,68,75)
InChIKeyASIBPCTZVOYMAO-UHFFFAOYSA-N
MW1087.38 g/mol
LogP8.49
Rot. Bonds16

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123207426) has the molecular formula C63H78N10O7 and a molecular weight of 1087.38 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID123207426
Molecular FormulaC63H78N10O7
Molecular Weight1087.38 g/mol
Exact Mass1086.61
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C3CCN(C)CC3)CC2)c2ccc(C3CN(Cc4cccnc4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C63H78N10O7/c1-37-29-55(79-8)50(59(74)67-37)33-65-61(76)57-41(5)73(53-15-11-10-14-48(53)57)40(4)47-22-26-70(35-43-13-12-23-64-32-43)36-52(47)46-16-17-54-49(31-46)58(62(77)66-34-51-56(80-9)30-38(2)68-60(51)75)42(6)72(54)39(3)44-20-27-71(28-21-44)63(78)45-18-24-69(7)25-19-45/h10-17,23,29-32,39-40,44-45,47,52H,18-22,24-28,33-36H2,1-9H3,(H,65,76)(H,66,77)(H,67,74)(H,68,75)
InChIKeyASIBPCTZVOYMAO-UHFFFAOYSA-N
XLogP8.49
TPSA191.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.38
LogP ≤ 58.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
CID 122491341
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-(3-fluoro-4-methylphenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798379
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-(3-fluorophenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798388
1-[4-[4-[4-[2-(4-fluorophenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798389
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
CID 49798394
CID 49798394
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
(R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(piperidin-4-yl)ethyl)-1H-indole-3-carboxamide
CID 117889508
1-methyl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]indole-3-carboxamide
CID 44401944

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123207426) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C3CCN(C)CC3)CC2)c2ccc(C3CN(Cc4cccnc4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is ASIBPCTZVOYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H78N10O7/c1-37-29-55(79-8)50(59(74)67-37)33-65-61(76)57-41(5)73(53-15-11-10-14-48(53)57)40(4)47-22-26-70(35-43-13-12-23-64-32-43)36-52(47)46-16-17-54-49(31-46)58(62(77)66-34-51-56(80-9)30-38(2)68-60(51)75)42(6)72(54)39(3)44-20-27-71(28-21-44)63(78)45-18-24-69(7)25-19-45/h10-17,23,29-32,39-40,44-45,47,52H,18-22,24-28,33-36H2,1-9H3,(H,65,76)(H,66,77)(H,67,74)(H,68,75).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 1087.38 g/mol, XLogP of 8.49, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-methyl-1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123207426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).