bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C90H60B2Br2ClF14N23O6 — CID 160997544

About bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160997544) has the molecular formula C90H60B2Br2ClF14N23O6 and a molecular weight of 2042.48 g/mol. Its IUPAC name is bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 160997544
• Molecular Formula: C90H60B2Br2ClF14N23O6
• Molecular Weight: 2042.48 g/mol
• Exact Mass: 2039.31
• IUPAC Name: bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.N#Cc1[nH]ncc1Br.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1Br.O=C(Cl)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F
• InChI: InChI=1S/C22H11F4N5O.2C15H9F2N5.C11H17BN2O2.C10H4BrF2N3.C7H3ClF2O.C6H5BF2O2.C4H2BrN3/c23-13-5-6-15(24)19(8-13)31-11-14(18(9-27)30-31)12-4-7-20(28-10-12)29-22(32)21-16(25)2-1-3-17(21)26;2*16-10-2-3-12(17)14(5-10)22-8-11(13(6-18)21-22)9-1-4-15(19)20-7-9;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;11-7-5-16(15-9(7)4-14)10-3-6(12)1-2-8(10)13;8-7(11)6-4(9)2-1-3-5(6)10;8-4-1-2-6(9)5(3-4)7(10)11;5-3-2-7-8-4(3)1-6/h1-8,10-11H,(H,28,29,32);2*1-5,7-8H,(H2,19,20);5-7H,1-4H3,(H2,13,14);1-3,5H;1-3H;1-3,10-11H;2H,(H,7,8)
• InChIKey: TVLFQCMOSWNJAR-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 453.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.48
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160997544) is bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.N#Cc1[nH]ncc1Br.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.N#Cc1nn(-c2cc(F)ccc2F)cc1Br.O=C(Cl)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F.

What is the InChIKey of bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is TVLFQCMOSWNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F4N5O.2C15H9F2N5.C11H17BN2O2.C10H4BrF2N3.C7H3ClF2O.C6H5BF2O2.C4H2BrN3/c23-13-5-6-15(24)19(8-13)31-11-14(18(9-27)30-31)12-4-7-20(28-10-12)29-22(32)21-16(25)2-1-3-17(21)26;2*16-10-2-3-12(17)14(5-10)22-8-11(13(6-18)21-22)9-1-4-15(19)20-7-9;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;11-7-5-16(15-9(7)4-14)10-3-6(12)1-2-8(10)13;8-7(11)6-4(9)2-1-3-5(6)10;8-4-1-2-6(9)5(3-4)7(10)11;5-3-2-7-8-4(3)1-6/h1-8,10-11H,(H,28,29,32);2*1-5,7-8H,(H2,19,20);5-7H,1-4H3,(H2,13,14);1-3,5H;1-3H;1-3,10-11H;2H,(H,7,8).

What are the key properties of bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 2042.48 g/mol, XLogP of 16.73, 12 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(6-amino-3-pyridinyl)-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile);4-bromo-1-(2,5-difluorophenyl)pyrazole-3-carbonitrile;4-bromo-1H-pyrazole-5-carbonitrile;N-[5-[3-cyano-1-(2,5-difluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;(2,5-difluorophenyl)boronic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160997544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).