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

C50H35BBr3ClF10N12O6Se4 — CID 159897302

IUPACbis(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
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1cnccc1F.O=C(Cl)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1
InChIInChI=1S/C15H10F4N4OSe.2C10H6BrFN2OSe.C5H6BF3N2O2.C5H2BrClOSe.C5H5FN2/c1-23-10(6-13(22-23)15(17,18)19)11-2-3-12(25-11)14(24)21-9-4-5-20-7-8(9)16;2*11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12;1-11-4(6(12)13)2-3(10-11)5(7,8)9;6-4-2-1-3(9-4)5(7)8;6-4-1-2-8-3-5(4)7/h2-7H,1H3,(H,20,21,24);2*1-5H,(H,13,14,15);2,12-13H,1H3;1-2H;1-3H,7H2
InChIKeyNVMSYHXPLRDYOR-UHFFFAOYSA-N
MW1691.70 g/mol
LogP9.34
Rot. Bonds9

About 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

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 (PubChem CID 159897302) has the molecular formula C50H35BBr3ClF10N12O6Se4 and a molecular weight of 1691.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159897302
Molecular FormulaC50H35BBr3ClF10N12O6Se4
Molecular Weight1691.70 g/mol
Exact Mass1691.66
IUPAC Namebis(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
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1cnccc1F.O=C(Cl)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1
InChIInChI=1S/C15H10F4N4OSe.2C10H6BrFN2OSe.C5H6BF3N2O2.C5H2BrClOSe.C5H5FN2/c1-23-10(6-13(22-23)15(17,18)19)11-2-3-12(25-11)14(24)21-9-4-5-20-7-8(9)16;2*11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12;1-11-4(6(12)13)2-3(10-11)5(7,8)9;6-4-2-1-3(9-4)5(7)8;6-4-1-2-8-3-5(4)7/h2-7H,1H3,(H,20,21,24);2*1-5H,(H,13,14,15);2,12-13H,1H3;1-2H;1-3H,7H2
InChIKeyNVMSYHXPLRDYOR-UHFFFAOYSA-N
XLogP9.34
TPSA258.05 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.70
LogP ≤ 59.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccncc2F)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1cnccc1F.O=C(Cl)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1.O=C(Nc1ccncc1F)c1ccc(Br)[se]1.
What is the InChIKey of 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?
The InChIKey is NVMSYHXPLRDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4OSe.2C10H6BrFN2OSe.C5H6BF3N2O2.C5H2BrClOSe.C5H5FN2/c1-23-10(6-13(22-23)15(17,18)19)11-2-3-12(25-11)14(24)21-9-4-5-20-7-8(9)16;2*11-9-2-1-8(16-9)10(15)14-7-3-4-13-5-6(7)12;1-11-4(6(12)13)2-3(10-11)5(7,8)9;6-4-2-1-3(9-4)5(7)8;6-4-1-2-8-3-5(4)7/h2-7H,1H3,(H,20,21,24);2*1-5H,(H,13,14,15);2,12-13H,1H3;1-2H;1-3H,7H2.
What are the key properties of 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?
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 has a molecular weight of 1691.70 g/mol, XLogP of 9.34, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159897302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).