N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide

C116H110N18O4 — CID 159936018

IUPACN-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)C1CCNCC1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)c1ccccc1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C40H34N6O.C39H39N7O.C37H37N5O2/c47-40(28-12-2-1-3-13-28)43-37(23-31-25-42-36-20-9-7-18-34(31)36)39-45-44-38(22-21-29-24-41-35-19-8-6-17-33(29)35)46(39)26-30-15-10-14-27-11-4-5-16-32(27)30;47-39(27-18-20-40-21-19-27)43-36(22-30-24-42-35-15-6-4-13-33(30)35)38-45-44-37(17-16-28-23-41-34-14-5-3-12-32(28)34)46(38)25-29-10-7-9-26-8-1-2-11-31(26)29;43-37(28-19-21-44-22-20-28)39-34(23-30-24-38-33-16-7-6-15-32(30)33)36-41-40-35(18-17-26-9-2-1-3-10-26)42(36)25-29-13-8-12-27-11-4-5-14-31(27)29/h1-20,24-25,37,41-42H,21-23,26H2,(H,43,47);1-15,23-24,27,36,40-42H,16-22,25H2,(H,43,47);1-16,24,28,34,38H,17-23,25H2,(H,39,43)/t37-;36-;34-/m111/s1
InChIKeyOAGJAFKBFUPXCG-PSIFQMKCSA-N
MW1820.28 g/mol
LogP21.14
Rot. Bonds30

About N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide

N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide (PubChem CID 159936018) has the molecular formula C116H110N18O4 and a molecular weight of 1820.28 g/mol. Its IUPAC name is N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide
PubChem CID159936018
Molecular FormulaC116H110N18O4
Molecular Weight1820.28 g/mol
Exact Mass1818.90
IUPAC NameN-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)C1CCNCC1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)c1ccccc1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C40H34N6O.C39H39N7O.C37H37N5O2/c47-40(28-12-2-1-3-13-28)43-37(23-31-25-42-36-20-9-7-18-34(31)36)39-45-44-38(22-21-29-24-41-35-19-8-6-17-33(29)35)46(39)26-30-15-10-14-27-11-4-5-16-32(27)30;47-39(27-18-20-40-21-19-27)43-36(22-30-24-42-35-15-6-4-13-33(30)35)38-45-44-37(17-16-28-23-41-34-14-5-3-12-32(28)34)46(38)25-29-10-7-9-26-8-1-2-11-31(26)29;43-37(28-19-21-44-22-20-28)39-34(23-30-24-38-33-16-7-6-15-32(30)33)36-41-40-35(18-17-26-9-2-1-3-10-26)42(36)25-29-13-8-12-27-11-4-5-14-31(27)29/h1-20,24-25,37,41-42H,21-23,26H2,(H,43,47);1-15,23-24,27,36,40-42H,16-22,25H2,(H,43,47);1-16,24,28,34,38H,17-23,25H2,(H,39,43)/t37-;36-;34-/m111/s1
InChIKeyOAGJAFKBFUPXCG-PSIFQMKCSA-N
XLogP21.14
TPSA279.64 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.28
LogP ≤ 521.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide with MolForge

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Related Compounds

(3R)-N-[1-[4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 68742460
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 23656783
N-[1-[5-benzyl-4-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 74963223
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 24777944
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]benzamide
CID 91160343
N-[(1R)-1-[5-benzyl-4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 23648252
(4S)-N-[(1R)-1-[4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-1,3-diazinane-4-carboxamide
CID 69337166
N-[(1R)-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 59554607
(2R)-2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]cyclohexane-1-carboxamide
CID 59554608
(2S)-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide
CID 23648241
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 68740263
N-[(1R)-1-[4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]formamide
CID 89007667

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide (CID 159936018) is N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide is O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)C1CCNCC1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12)c1ccccc1.O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12)C1CCOCC1.
What is the InChIKey of N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide?
The InChIKey is OAGJAFKBFUPXCG-PSIFQMKCSA-N. The full InChI is InChI=1S/C40H34N6O.C39H39N7O.C37H37N5O2/c47-40(28-12-2-1-3-13-28)43-37(23-31-25-42-36-20-9-7-18-34(31)36)39-45-44-38(22-21-29-24-41-35-19-8-6-17-33(29)35)46(39)26-30-15-10-14-27-11-4-5-16-32(27)30;47-39(27-18-20-40-21-19-27)43-36(22-30-24-42-35-15-6-4-13-33(30)35)38-45-44-37(17-16-28-23-41-34-14-5-3-12-32(28)34)46(38)25-29-10-7-9-26-8-1-2-11-31(26)29;43-37(28-19-21-44-22-20-28)39-34(23-30-24-38-33-16-7-6-15-32(30)33)36-41-40-35(18-17-26-9-2-1-3-10-26)42(36)25-29-13-8-12-27-11-4-5-14-31(27)29/h1-20,24-25,37,41-42H,21-23,26H2,(H,43,47);1-15,23-24,27,36,40-42H,16-22,25H2,(H,43,47);1-16,24,28,34,38H,17-23,25H2,(H,39,43)/t37-;36-;34-/m111/s1.
What are the key properties of N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide?
N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide has a molecular weight of 1820.28 g/mol, XLogP of 21.14, 30 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]benzamide;N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide;N-[(1R)-2-(1H-indol-3-yl)-1-[4-(naphthalen-1-ylmethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 159936018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).