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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

C63H74N10O6 — CID 123413401

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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3)CC2)c2ccc(C3CN(Cc4ccnc(C)c4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C63H74N10O6/c1-37-28-45(18-24-65-37)35-71-27-21-48(41(5)73-42(6)58(49-12-10-11-13-54(49)73)62(76)66-32-51-56(78-8)29-38(2)68-60(51)74)53(36-71)47-14-15-55-50(31-47)59(63(77)67-33-52-57(79-9)30-39(3)69-61(52)75)43(7)72(55)40(4)46-19-25-70(26-20-46)34-44-16-22-64-23-17-44/h10-18,22-24,28-31,40-41,46,48,53H,19-21,25-27,32-36H2,1-9H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75)
InChIKeyBHVMSYUZRRXVPU-UHFFFAOYSA-N
MW1067.35 g/mol
LogP9.52
Rot. Bonds17

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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123413401) has the molecular formula C63H74N10O6 and a molecular weight of 1067.35 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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID123413401
Molecular FormulaC63H74N10O6
Molecular Weight1067.35 g/mol
Exact Mass1066.58
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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3)CC2)c2ccc(C3CN(Cc4ccnc(C)c4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C63H74N10O6/c1-37-28-45(18-24-65-37)35-71-27-21-48(41(5)73-42(6)58(49-12-10-11-13-54(49)73)62(76)66-32-51-56(78-8)29-38(2)68-60(51)74)53(36-71)47-14-15-55-50(31-47)59(63(77)67-33-52-57(79-9)30-39(3)69-61(52)75)43(7)72(55)40(4)46-19-25-70(26-20-46)34-44-16-22-64-23-17-44/h10-18,22-24,28-31,40-41,46,48,53H,19-21,25-27,32-36H2,1-9H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75)
InChIKeyBHVMSYUZRRXVPU-UHFFFAOYSA-N
XLogP9.52
TPSA184.50 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.35
LogP ≤ 59.52
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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide with MolForge

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Launch Full Analysis

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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123413401) 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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3)CC2)c2ccc(C3CN(Cc4ccnc(C)c4)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is BHVMSYUZRRXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H74N10O6/c1-37-28-45(18-24-65-37)35-71-27-21-48(41(5)73-42(6)58(49-12-10-11-13-54(49)73)62(76)66-32-51-56(78-8)29-38(2)68-60(51)74)53(36-71)47-14-15-55-50(31-47)59(63(77)67-33-52-57(79-9)30-39(3)69-61(52)75)43(7)72(55)40(4)46-19-25-70(26-20-46)34-44-16-22-64-23-17-44/h10-18,22-24,28-31,40-41,46,48,53H,19-21,25-27,32-36H2,1-9H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75).
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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 1067.35 g/mol, XLogP of 9.52, 17 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-[(2-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-methyl-1-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123413401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).