bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide

C129H101N25O6S — CID 158698045

IUPACbis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1
InChIInChI=1S/C27H21N5O.2C26H21N5O.C25H19N5O2.C25H19N5OS/c33-26(29-23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-25-27(22-9-5-2-6-10-22)32(31-30-25)24-15-17-28-18-16-24;2*32-25(28-22-12-10-20(11-13-22)19-6-4-5-7-19)18-24-26(21-8-2-1-3-9-21)31(30-29-24)23-14-16-27-17-15-23;2*31-24(27-20-10-8-18(9-11-20)23-7-4-16-32-23)17-22-25(19-5-2-1-3-6-19)30(29-28-22)21-12-14-26-15-13-21/h1-18H,19H2,(H,29,33);2*1-4,6-17H,5,18H2,(H,28,32);2*1-16H,17H2,(H,27,31)
InChIKeyIHEPYYBKPOEULJ-UHFFFAOYSA-N
MW2129.46 g/mol
LogP24.89
Rot. Bonds30

About bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide

bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide (PubChem CID 158698045) has the molecular formula C129H101N25O6S and a molecular weight of 2129.46 g/mol. Its IUPAC name is bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound Namebis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide
PubChem CID158698045
Molecular FormulaC129H101N25O6S
Molecular Weight2129.46 g/mol
Exact Mass2127.81
IUPAC Namebis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1
InChIInChI=1S/C27H21N5O.2C26H21N5O.C25H19N5O2.C25H19N5OS/c33-26(29-23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-25-27(22-9-5-2-6-10-22)32(31-30-25)24-15-17-28-18-16-24;2*32-25(28-22-12-10-20(11-13-22)19-6-4-5-7-19)18-24-26(21-8-2-1-3-9-21)31(30-29-24)23-14-16-27-17-15-23;2*31-24(27-20-10-8-18(9-11-20)23-7-4-16-32-23)17-22-25(19-5-2-1-3-6-19)30(29-28-22)21-12-14-26-15-13-21/h1-18H,19H2,(H,29,33);2*1-4,6-17H,5,18H2,(H,28,32);2*1-16H,17H2,(H,27,31)
InChIKeyIHEPYYBKPOEULJ-UHFFFAOYSA-N
XLogP24.89
TPSA376.64 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.46
LogP ≤ 524.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide with MolForge

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Related Compounds

N-[5-[3-[4-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-7-yl]furan-3-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide
CID 137034178
2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159749631
1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 157383280
1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)propan-2-one;1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-(4-methylphenyl)propan-2-one;1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(4-methylphenyl)propan-2-one;1-[2-(furan-2-yl)-3-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 157953810
2-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-(methylaminomethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 158067035
[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4,6-dimethyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(2-methoxyphenyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-pyridin-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 158502913
1-[4-(Furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine
CID 159167692
2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyrazin-2-yl]benzamide
CID 159306591
6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 159756959
bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide;2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-thiophen-2-ylphenyl)acetamide
CID 160159144
methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-3-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-2-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 160798194
4-(1-Benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
CID 160812292

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide?
The IUPAC name of bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide (CID 158698045) is bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide is O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(C2=CCC=C2)cc1.
What is the InChIKey of bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide?
The InChIKey is IHEPYYBKPOEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O.2C26H21N5O.C25H19N5O2.C25H19N5OS/c33-26(29-23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-25-27(22-9-5-2-6-10-22)32(31-30-25)24-15-17-28-18-16-24;2*32-25(28-22-12-10-20(11-13-22)19-6-4-5-7-19)18-24-26(21-8-2-1-3-9-21)31(30-29-24)23-14-16-27-17-15-23;2*31-24(27-20-10-8-18(9-11-20)23-7-4-16-32-23)17-22-25(19-5-2-1-3-6-19)30(29-28-22)21-12-14-26-15-13-21/h1-18H,19H2,(H,29,33);2*1-4,6-17H,5,18H2,(H,28,32);2*1-16H,17H2,(H,27,31).
What are the key properties of bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide?
bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide has a molecular weight of 2129.46 g/mol, XLogP of 24.89, 30 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-cyclopenta-1,4-dien-1-ylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide);N-[4-(furan-2-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(4-phenylphenyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(4-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 158698045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).