acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)

C155H150B2Br2ClF4N19O12P4Pd2 — CID 159161571

IUPACacetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)
SMILESC.C.C.CC(=O)O.CC(=O)O.CN(C)c1ccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(F)c4)nc3)nc2)cn1.CN(C)c1ccc(B(O)O)cn1.NCc1ccc(-c2ccnc(F)c2)nc1.NCc1ccc(Cl)nc1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.OB(O)c1ccnc(F)c1.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21FN6O.4C18H15P.C17H12BrFN4O.C11H10FN3.C7H11BN2O2.C6H4BrNO2.C6H7ClN2.C5H5BFNO2.2C2H4O2.3CH4.2Pd/c1-31(2)23-8-5-19(15-29-23)18-4-7-21(28-14-18)24(32)30-13-16-3-6-20(27-12-16)17-9-10-26-22(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-2-4-15(22-10-13)17(24)23-9-11-1-3-14(21-8-11)12-5-6-20-16(19)7-12;12-11-5-9(3-4-14-11)10-2-1-8(6-13)7-15-10;1-10(2)7-4-3-6(5-9-7)8(11)12;7-4-1-2-5(6(9)10)8-3-4;7-6-2-1-5(3-8)4-9-6;7-5-3-4(6(9)10)1-2-8-5;2*1-2(3)4;;;;;/h3-12,14-15H,13H2,1-2H3,(H,30,32);4*1-15H;1-8,10H,9H2,(H,23,24);1-5,7H,6,13H2;3-5,11-12H,1-2H3;1-3H,(H,9,10);1-2,4H,3,8H2;1-3,9-10H;2*1H3,(H,3,4);3*1H4;;
InChIKeyWPTHTXWRJQHSLD-UHFFFAOYSA-N
MW3100.64 g/mol
LogP25.18
Rot. Bonds29

About acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)

acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) (PubChem CID 159161571) has the molecular formula C155H150B2Br2ClF4N19O12P4Pd2 and a molecular weight of 3100.64 g/mol. Its IUPAC name is acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane).

Molecular Properties

Compound Nameacetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)
PubChem CID159161571
Molecular FormulaC155H150B2Br2ClF4N19O12P4Pd2
Molecular Weight3100.64 g/mol
Exact Mass3095.69
IUPAC Nameacetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)
SMILESC.C.C.CC(=O)O.CC(=O)O.CN(C)c1ccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(F)c4)nc3)nc2)cn1.CN(C)c1ccc(B(O)O)cn1.NCc1ccc(-c2ccnc(F)c2)nc1.NCc1ccc(Cl)nc1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.OB(O)c1ccnc(F)c1.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21FN6O.4C18H15P.C17H12BrFN4O.C11H10FN3.C7H11BN2O2.C6H4BrNO2.C6H7ClN2.C5H5BFNO2.2C2H4O2.3CH4.2Pd/c1-31(2)23-8-5-19(15-29-23)18-4-7-21(28-14-18)24(32)30-13-16-3-6-20(27-12-16)17-9-10-26-22(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-2-4-15(22-10-13)17(24)23-9-11-1-3-14(21-8-11)12-5-6-20-16(19)7-12;12-11-5-9(3-4-14-11)10-2-1-8(6-13)7-15-10;1-10(2)7-4-3-6(5-9-7)8(11)12;7-4-1-2-5(6(9)10)8-3-4;7-6-2-1-5(3-8)4-9-6;7-5-3-4(6(9)10)1-2-8-5;2*1-2(3)4;;;;;/h3-12,14-15H,13H2,1-2H3,(H,30,32);4*1-15H;1-8,10H,9H2,(H,23,24);1-5,7H,6,13H2;3-5,11-12H,1-2H3;1-3H,(H,9,10);1-2,4H,3,8H2;1-3,9-10H;2*1H3,(H,3,4);3*1H4;;
InChIKeyWPTHTXWRJQHSLD-UHFFFAOYSA-N
XLogP25.18
TPSA477.11 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003100.64
LogP ≤ 525.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid
CID 157302552

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)?
The IUPAC name of acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) (CID 159161571) is acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane).
What is the SMILES notation for acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)?
The canonical SMILES for acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) is C.C.C.CC(=O)O.CC(=O)O.CN(C)c1ccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(F)c4)nc3)nc2)cn1.CN(C)c1ccc(B(O)O)cn1.NCc1ccc(-c2ccnc(F)c2)nc1.NCc1ccc(Cl)nc1.O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.OB(O)c1ccnc(F)c1.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)?
The InChIKey is WPTHTXWRJQHSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O.4C18H15P.C17H12BrFN4O.C11H10FN3.C7H11BN2O2.C6H4BrNO2.C6H7ClN2.C5H5BFNO2.2C2H4O2.3CH4.2Pd/c1-31(2)23-8-5-19(15-29-23)18-4-7-21(28-14-18)24(32)30-13-16-3-6-20(27-12-16)17-9-10-26-22(25)11-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-2-4-15(22-10-13)17(24)23-9-11-1-3-14(21-8-11)12-5-6-20-16(19)7-12;12-11-5-9(3-4-14-11)10-2-1-8(6-13)7-15-10;1-10(2)7-4-3-6(5-9-7)8(11)12;7-4-1-2-5(6(9)10)8-3-4;7-6-2-1-5(3-8)4-9-6;7-5-3-4(6(9)10)1-2-8-5;2*1-2(3)4;;;;;/h3-12,14-15H,13H2,1-2H3,(H,30,32);4*1-15H;1-8,10H,9H2,(H,23,24);1-5,7H,6,13H2;3-5,11-12H,1-2H3;1-3H,(H,9,10);1-2,4H,3,8H2;1-3,9-10H;2*1H3,(H,3,4);3*1H4;;.
What are the key properties of acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane)?
acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) has a molecular weight of 3100.64 g/mol, XLogP of 25.18, 29 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-bromo-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;(6-chloro-3-pyridinyl)methanamine;[6-(dimethylamino)-3-pyridinyl]boronic acid;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;(2-fluoro-4-pyridinyl)boronic acid;[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methanamine;methane;bis(palladium);tetrakis(triphenylphosphane) is sourced from PubChem (CID 159161571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).