1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide

C61H70FN11O6 — CID 123531370

IUPAC1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccc(C3CN(Cc4cnccn4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C61H70FN11O6/c1-35-25-54(78-7)48(58(74)68-35)29-66-60(76)56-39(5)73(52-12-10-9-11-46(52)56)38(4)45-18-24-71(33-44-28-64-20-21-65-44)34-50(45)42-13-14-53-47(27-42)57(61(77)67-30-49-55(79-8)26-36(2)69-59(49)75)40(6)72(53)37(3)41-16-22-70(23-17-41)32-43-15-19-63-31-51(43)62/h9-15,19-21,25-28,31,37-38,41,45,50H,16-18,22-24,29-30,32-34H2,1-8H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75)
InChIKeyAQRMZWOFIRYODX-UHFFFAOYSA-N
MW1072.30 g/mol
LogP8.75
Rot. Bonds17

About 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide

1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide (PubChem CID 123531370) has the molecular formula C61H70FN11O6 and a molecular weight of 1072.30 g/mol. Its IUPAC name is 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide
PubChem CID123531370
Molecular FormulaC61H70FN11O6
Molecular Weight1072.30 g/mol
Exact Mass1071.55
IUPAC Name1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccc(C3CN(Cc4cnccn4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12
InChIInChI=1S/C61H70FN11O6/c1-35-25-54(78-7)48(58(74)68-35)29-66-60(76)56-39(5)73(52-12-10-9-11-46(52)56)38(4)45-18-24-71(33-44-28-64-20-21-65-44)34-50(45)42-13-14-53-47(27-42)57(61(77)67-30-49-55(79-8)26-36(2)69-59(49)75)40(6)72(53)37(3)41-16-22-70(23-17-41)32-43-15-19-63-31-51(43)62/h9-15,19-21,25-28,31,37-38,41,45,50H,16-18,22-24,29-30,32-34H2,1-8H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75)
InChIKeyAQRMZWOFIRYODX-UHFFFAOYSA-N
XLogP8.75
TPSA197.39 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.30
LogP ≤ 58.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
CID 49798378
CID 49798378
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
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
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
US9920032, Example 84
CID 126738939

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide (CID 123531370) is 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccc(C3CN(Cc4cnccn4)CCC3C(C)n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)cc12.
What is the InChIKey of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide?
The InChIKey is AQRMZWOFIRYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H70FN11O6/c1-35-25-54(78-7)48(58(74)68-35)29-66-60(76)56-39(5)73(52-12-10-9-11-46(52)56)38(4)45-18-24-71(33-44-28-64-20-21-65-44)34-50(45)42-13-14-53-47(27-42)57(61(77)67-30-49-55(79-8)26-36(2)69-59(49)75)40(6)72(53)37(3)41-16-22-70(23-17-41)32-43-15-19-63-31-51(43)62/h9-15,19-21,25-28,31,37-38,41,45,50H,16-18,22-24,29-30,32-34H2,1-8H3,(H,66,76)(H,67,77)(H,68,74)(H,69,75).
What are the key properties of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide?
1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide has a molecular weight of 1072.30 g/mol, XLogP of 8.75, 17 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-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-(pyrazin-2-ylmethyl)piperidin-3-yl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 123531370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).