N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C93H98BrF5N22O4 — CID 157159292

IUPACN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3ccccn3)CC2)c1.CC(C)c1ccc(NC(=O)c2cnccc2C(F)(F)F)c(N2CCN(c3cnccn3)CC2)c1.Cc1c(F)cc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cc1F.O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1
InChIInChI=1S/C25H27F2N5O.C24H25F3N6O.C24H27N5O.C20H19BrN6O/c1-16(2)18-4-5-22(30-25(33)19-12-20(26)17(3)21(27)13-19)23(14-18)31-8-10-32(11-9-31)24-15-28-6-7-29-24;1-16(2)17-3-4-20(31-23(34)18-14-28-6-5-19(18)24(25,26)27)21(13-17)32-9-11-33(12-10-32)22-15-29-7-8-30-22;1-18(2)19-8-9-21(27-24(30)20-6-5-10-25-17-20)22(16-19)28-12-14-29(15-13-28)23-7-3-4-11-26-23;21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h4-7,12-16H,8-11H2,1-3H3,(H,30,33);3-8,13-16H,9-12H2,1-2H3,(H,31,34);3-11,16-18H,12-15H2,1-2H3,(H,27,30);1-7,12-14H,8-11H2,(H,25,28)
InChIKeyAMEJRBVZYKOVML-UHFFFAOYSA-N
MW1762.85 g/mol
LogP16.75
Rot. Bonds19

About N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 157159292) has the molecular formula C93H98BrF5N22O4 and a molecular weight of 1762.85 g/mol. Its IUPAC name is N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID157159292
Molecular FormulaC93H98BrF5N22O4
Molecular Weight1762.85 g/mol
Exact Mass1760.72
IUPAC NameN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3ccccn3)CC2)c1.CC(C)c1ccc(NC(=O)c2cnccc2C(F)(F)F)c(N2CCN(c3cnccn3)CC2)c1.Cc1c(F)cc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cc1F.O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1
InChIInChI=1S/C25H27F2N5O.C24H25F3N6O.C24H27N5O.C20H19BrN6O/c1-16(2)18-4-5-22(30-25(33)19-12-20(26)17(3)21(27)13-19)23(14-18)31-8-10-32(11-9-31)24-15-28-6-7-29-24;1-16(2)17-3-4-20(31-23(34)18-14-28-6-5-19(18)24(25,26)27)21(13-17)32-9-11-33(12-10-32)22-15-29-7-8-30-22;1-18(2)19-8-9-21(27-24(30)20-6-5-10-25-17-20)22(16-19)28-12-14-29(15-13-28)23-7-3-4-11-26-23;21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h4-7,12-16H,8-11H2,1-3H3,(H,30,33);3-8,13-16H,9-12H2,1-2H3,(H,31,34);3-11,16-18H,12-15H2,1-2H3,(H,27,30);1-7,12-14H,8-11H2,(H,25,28)
InChIKeyAMEJRBVZYKOVML-UHFFFAOYSA-N
XLogP16.75
TPSA271.22 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.85
LogP ≤ 516.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 158248112
6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
CID 158436416
N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrazin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-2-yl-2-(trifluoromethyl)benzamide
CID 159854092
6-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[6-methyl-5-[(4-phenylpyrimidin-2-yl)amino]-3-pyridinyl]-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide
CID 160040164
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide
CID 160669517
N-[5-bromo-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;(6-piperidin-1-yl-3-pyridinyl)boronic acid
CID 167543825
N-[5-bromo-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide;4-fluoro-N-[4-fluoro-5-(2-piperidin-1-ylpyrimidin-5-yl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-(trifluoromethyl)benzamide;(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
CID 167584722
6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 87115035
N-[6-[4-[5-[2-bromo-4-(4-pyrazin-2-ylpiperazin-1-yl)-5-(pyridine-3-carbonylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
CID 123700845
2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 157191765
N-[4-cyclopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide;2-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 157435507
2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]piperidine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;N-[4-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 157446104

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 157159292) is N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3ccccn3)CC2)c1.CC(C)c1ccc(NC(=O)c2cnccc2C(F)(F)F)c(N2CCN(c3cnccn3)CC2)c1.Cc1c(F)cc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cc1F.O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1.
What is the InChIKey of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is AMEJRBVZYKOVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O.C24H25F3N6O.C24H27N5O.C20H19BrN6O/c1-16(2)18-4-5-22(30-25(33)19-12-20(26)17(3)21(27)13-19)23(14-18)31-8-10-32(11-9-31)24-15-28-6-7-29-24;1-16(2)17-3-4-20(31-23(34)18-14-28-6-5-19(18)24(25,26)27)21(13-17)32-9-11-33(12-10-32)22-15-29-7-8-30-22;1-18(2)19-8-9-21(27-24(30)20-6-5-10-25-17-20)22(16-19)28-12-14-29(15-13-28)23-7-3-4-11-26-23;21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h4-7,12-16H,8-11H2,1-3H3,(H,30,33);3-8,13-16H,9-12H2,1-2H3,(H,31,34);3-11,16-18H,12-15H2,1-2H3,(H,27,30);1-7,12-14H,8-11H2,(H,25,28).
What are the key properties of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 1762.85 g/mol, XLogP of 16.75, 19 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;3,5-difluoro-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]benzamide;N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157159292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).