5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide

C40H30BBrF4N8O4Se2 — CID 157445046

IUPAC5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(-c2ccccc2F)cc1B(O)O.O=C(Nc1ccncc1F)c1ccc(Br)[se]1
InChIInChI=1S/C20H14F2N4OSe.C10H10BFN2O2.C10H6BrFN2OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22;1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12/h2-11H,1H3,(H,23,24,27);2-6,15-16H,1H3;1-5H,(H,13,14,15)
InChIKeyBSCVQDZRTWYENC-UHFFFAOYSA-N
MW1011.36 g/mol
LogP5.94
Rot. Bonds8

About 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide

5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide (PubChem CID 157445046) has the molecular formula C40H30BBrF4N8O4Se2 and a molecular weight of 1011.36 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
PubChem CID157445046
Molecular FormulaC40H30BBrF4N8O4Se2
Molecular Weight1011.36 g/mol
Exact Mass1011.99
IUPAC Name5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(-c2ccccc2F)cc1B(O)O.O=C(Nc1ccncc1F)c1ccc(Br)[se]1
InChIInChI=1S/C20H14F2N4OSe.C10H10BFN2O2.C10H6BrFN2OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22;1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12/h2-11H,1H3,(H,23,24,27);2-6,15-16H,1H3;1-5H,(H,13,14,15)
InChIKeyBSCVQDZRTWYENC-UHFFFAOYSA-N
XLogP5.94
TPSA160.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.36
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide with MolForge

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Related Compounds

5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide
CID 87153045
3,5-difluoro-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-4-carboxamide;N-[(3,5-difluoro-4-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 157979059
5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158975971
bis(5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide);5-bromoselenophene-2-carbonyl chloride;4-fluoropyridin-3-amine;N-(3-fluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 159897302
5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 160053004
2-[(2-Bromo-5-fluoro-4-pyridinyl)methyl]isoindole-1,3-dione;2-[[5-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
CID 160221734
N-(2-fluorophenyl)-1-[4-[5-[(2-fluorophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497575
N-(4-fluorophenyl)-1-[4-[5-[(4-fluorophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497584
N-(3-fluorophenyl)-1-[4-[5-[(3-fluorophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175532135
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298834
5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 157493318
5-bromo-N-(2-fluorophenyl)selenophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid
CID 157689953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide (CID 157445046) is 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(-c2ccccc2F)cc1B(O)O.O=C(Nc1ccncc1F)c1ccc(Br)[se]1.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
The InChIKey is BSCVQDZRTWYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OSe.C10H10BFN2O2.C10H6BrFN2OSe/c1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22;1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12/h2-11H,1H3,(H,23,24,27);2-6,15-16H,1H3;1-5H,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide?
5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide has a molecular weight of 1011.36 g/mol, XLogP of 5.94, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)selenophene-2-carboxamide is sourced from PubChem (CID 157445046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).