1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C131H118Br2F3N29O5 — CID 160656874

IUPAC1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESN#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2)nc1.N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ncc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/2C27H24N6O.C26H24BrN5O.C26H23F3N6O.C25H23BrN6O/c28-19-23-12-7-13-29-27(23)32-16-14-31(15-17-32)26(34)20-33-25(22-10-5-2-6-11-22)18-24(30-33)21-8-3-1-4-9-21;28-18-21-11-12-26(29-19-21)31-13-15-32(16-14-31)27(34)20-33-25(23-9-5-2-6-10-23)17-24(30-33)22-7-3-1-4-8-22;27-22-11-12-25(28-18-22)30-13-15-31(16-14-30)26(33)19-32-24(21-9-5-2-6-10-21)17-23(29-32)20-7-3-1-4-8-20;27-26(28,29)23-11-12-30-25(31-23)34-15-13-33(14-16-34)24(36)18-35-22(20-9-5-2-6-10-20)17-21(32-35)19-7-3-1-4-8-19;26-21-16-27-25(28-17-21)31-13-11-30(12-14-31)24(33)18-32-23(20-9-5-2-6-10-20)15-22(29-32)19-7-3-1-4-8-19/h1-13,18H,14-17,20H2;1-12,17,19H,13-16,20H2;1-12,17-18H,13-16,19H2;1-12,17H,13-16,18H2;1-10,15-17H,11-14,18H2
InChIKeyRLDYFSKNMCBDPE-UHFFFAOYSA-N
MW2395.38 g/mol
LogP20.88
Rot. Bonds25

About 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 160656874) has the molecular formula C131H118Br2F3N29O5 and a molecular weight of 2395.38 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID160656874
Molecular FormulaC131H118Br2F3N29O5
Molecular Weight2395.38 g/mol
Exact Mass2391.82
IUPAC Name1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESN#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2)nc1.N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ncc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/2C27H24N6O.C26H24BrN5O.C26H23F3N6O.C25H23BrN6O/c28-19-23-12-7-13-29-27(23)32-16-14-31(15-17-32)26(34)20-33-25(22-10-5-2-6-11-22)18-24(30-33)21-8-3-1-4-9-21;28-18-21-11-12-26(29-19-21)31-13-15-32(16-14-31)27(34)20-33-25(23-9-5-2-6-10-23)17-24(30-33)22-7-3-1-4-8-22;27-22-11-12-25(28-18-22)30-13-15-31(16-14-30)26(33)19-32-24(21-9-5-2-6-10-21)17-23(29-32)20-7-3-1-4-8-20;27-26(28,29)23-11-12-30-25(31-23)34-15-13-33(14-16-34)24(36)18-35-22(20-9-5-2-6-10-20)17-21(32-35)19-7-3-1-4-8-19;26-21-16-27-25(28-17-21)31-13-11-30(12-14-31)24(33)18-32-23(20-9-5-2-6-10-20)15-22(29-32)19-7-3-1-4-8-19/h1-13,18H,14-17,20H2;1-12,17,19H,13-16,20H2;1-12,17-18H,13-16,19H2;1-12,17H,13-16,18H2;1-10,15-17H,11-14,18H2
InChIKeyRLDYFSKNMCBDPE-UHFFFAOYSA-N
XLogP20.88
TPSA344.66 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.38
LogP ≤ 520.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;7-amino-5-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157604802
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)-4-pyridinyl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 159197649
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;bis(3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile)
CID 160051014
N-[5-(4-cyanophenyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-[5-(2-cyano-4-pyridinyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-[5-(6-cyano-3-pyridinyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;2-[4-(1-cyclopentylpyrazol-4-yl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-(2-methylpyrazol-3-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
CID 160428887
N-[5-(2-cyano-4-pyridinyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-[5-(6-cyano-3-pyridinyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;2-[4-(1-cyclopentylpyrazol-4-yl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-(2-methylpyrazol-3-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
CID 160558195
2-[2,5-dimethyl-4-(6-methyl-3-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2,5-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-(6-methyl-3-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-(6-methyl-3-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 161005200
(3S,4R)-1-[2-[(2S)-1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4-fluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-fluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 162139634
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164954717
1-[4-[5-[3-Bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165075233
(3S,4R)-1-[2-[(2S)-1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,6-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4-fluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-fluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(3-methylpyridine-2-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(6-phenylpyridine-2-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157402117
N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
CID 157493442
bis(N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide);N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide;2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-phenylpyrimidin-2-yl)acetamide;2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide;2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 157601305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 160656874) is 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is N#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2)nc1.N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ncc(Br)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is RLDYFSKNMCBDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N6O.C26H24BrN5O.C26H23F3N6O.C25H23BrN6O/c28-19-23-12-7-13-29-27(23)32-16-14-31(15-17-32)26(34)20-33-25(22-10-5-2-6-11-22)18-24(30-33)21-8-3-1-4-9-21;28-18-21-11-12-26(29-19-21)31-13-15-32(16-14-31)27(34)20-33-25(23-9-5-2-6-10-23)17-24(30-33)22-7-3-1-4-8-22;27-22-11-12-25(28-18-22)30-13-15-31(16-14-30)26(33)19-32-24(21-9-5-2-6-10-21)17-23(29-32)20-7-3-1-4-8-20;27-26(28,29)23-11-12-30-25(31-23)34-15-13-33(14-16-34)24(36)18-35-22(20-9-5-2-6-10-20)17-21(32-35)19-7-3-1-4-8-19;26-21-16-27-25(28-17-21)31-13-11-30(12-14-31)24(33)18-32-23(20-9-5-2-6-10-20)15-22(29-32)19-7-3-1-4-8-19/h1-13,18H,14-17,20H2;1-12,17,19H,13-16,20H2;1-12,17-18H,13-16,19H2;1-12,17H,13-16,18H2;1-10,15-17H,11-14,18H2.
What are the key properties of 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 2395.38 g/mol, XLogP of 20.88, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160656874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).