(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide

C55H57N9O5 — CID 162200529

IUPAC(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCOc1cn(Cc2ccc(C)cc2)c2ccc(-c3cccc(C(N)=O)n3)cc12.Cc1ccc(Cn2cc(CNC3CCNC3=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.N[C@H]1CCCC1=O
InChIInChI=1S/C27H27N5O2.C23H21N3O2.C5H9NO/c1-17-5-7-18(8-6-17)15-32-16-20(14-30-24-11-12-29-27(24)34)21-13-19(9-10-25(21)32)22-3-2-4-23(31-22)26(28)33;1-15-6-8-16(9-7-15)13-26-14-22(28-2)18-12-17(10-11-21(18)26)19-4-3-5-20(25-19)23(24)27;6-4-2-1-3-5(4)7/h2-10,13,16,24,30H,11-12,14-15H2,1H3,(H2,28,33)(H,29,34);3-12,14H,13H2,1-2H3,(H2,24,27);4H,1-3,6H2/t;;4-/m..0/s1
InChIKeyZRNFDCLBURGNNK-MCIOAOFGSA-N
MW924.12 g/mol
LogP7.37
Rot. Bonds12

About (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide

(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 162200529) has the molecular formula C55H57N9O5 and a molecular weight of 924.12 g/mol. Its IUPAC name is (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID162200529
Molecular FormulaC55H57N9O5
Molecular Weight924.12 g/mol
Exact Mass923.45
IUPAC Name(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCOc1cn(Cc2ccc(C)cc2)c2ccc(-c3cccc(C(N)=O)n3)cc12.Cc1ccc(Cn2cc(CNC3CCNC3=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.N[C@H]1CCCC1=O
InChIInChI=1S/C27H27N5O2.C23H21N3O2.C5H9NO/c1-17-5-7-18(8-6-17)15-32-16-20(14-30-24-11-12-29-27(24)34)21-13-19(9-10-25(21)32)22-3-2-4-23(31-22)26(28)33;1-15-6-8-16(9-7-15)13-26-14-22(28-2)18-12-17(10-11-21(18)26)19-4-3-5-20(25-19)23(24)27;6-4-2-1-3-5(4)7/h2-10,13,16,24,30H,11-12,14-15H2,1H3,(H2,28,33)(H,29,34);3-12,14H,13H2,1-2H3,(H2,24,27);4H,1-3,6H2/t;;4-/m..0/s1
InChIKeyZRNFDCLBURGNNK-MCIOAOFGSA-N
XLogP7.37
TPSA215.27 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.12
LogP ≤ 57.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Related Compounds

1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380536
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380537
(E)-3-[4-[[4-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-1-methylpiperidine-4-carbonyl]amino]phenyl]prop-2-enoic acid
CID 71450298
5-[[2-[[3-Cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71455669
(E)-3-[4-[[2-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]phenyl]prop-2-enoic acid
CID 71455684
(E)-3-[4-[[(3S)-3-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-1-methylpyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 71461111
5-[[1-[[3-Cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclobutanecarbonyl]amino]-1-methylindole-2-carboxylic acid
CID 71462798
(E)-3-[4-[[1-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 71462828
6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)piperazin-1-yl]hexan-3-one
CID 135151498
US12473304, Example 219
CID 156829885
Piperazine, 1-[2-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-4-(2-pyridinylcarbonyl)-
CID 15958754
[2-[[(2S)-3,3-dimethyl-1-oxo-1-[(1S,4S)-5-(5-pyridin-4-yl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamoyl]-1H-indol-3-yl] 2,2,2-trifluoroacetate
CID 67215549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide (CID 162200529) is (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide is COc1cn(Cc2ccc(C)cc2)c2ccc(-c3cccc(C(N)=O)n3)cc12.Cc1ccc(Cn2cc(CNC3CCNC3=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.N[C@H]1CCCC1=O.
What is the InChIKey of (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is ZRNFDCLBURGNNK-MCIOAOFGSA-N. The full InChI is InChI=1S/C27H27N5O2.C23H21N3O2.C5H9NO/c1-17-5-7-18(8-6-17)15-32-16-20(14-30-24-11-12-29-27(24)34)21-13-19(9-10-25(21)32)22-3-2-4-23(31-22)26(28)33;1-15-6-8-16(9-7-15)13-26-14-22(28-2)18-12-17(10-11-21(18)26)19-4-3-5-20(25-19)23(24)27;6-4-2-1-3-5(4)7/h2-10,13,16,24,30H,11-12,14-15H2,1H3,(H2,28,33)(H,29,34);3-12,14H,13H2,1-2H3,(H2,24,27);4H,1-3,6H2/t;;4-/m..0/s1.
What are the key properties of (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide?
(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide has a molecular weight of 924.12 g/mol, XLogP of 7.37, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162200529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).