1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C113H124F7N35O8S — CID 157388611

IUPAC1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(C(F)(F)F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)n1.Nc1ccc(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/2C23H24F3N7O.C23H26N6O3S.C22H24FN7O.C22H26N8O2/c24-23(25,26)16-8-13(11-31-22(16)29)18-4-3-17(28)21(32-18)20(34)9-14-10-30-6-5-19(14)33-7-1-2-15(27)12-33;24-23(25,26)16-9-21(29)31-11-15(16)18-4-3-17(28)22(32-18)20(34)8-13-10-30-6-5-19(13)33-7-1-2-14(27)12-33;24-17-4-2-10-29(14-17)21-8-9-27-13-16(21)12-22(30)23-19(25)6-7-20(28-23)15-3-1-5-18(11-15)33(26,31)32;23-22-15(3-6-20(26)29-22)17-5-4-16(25)21(28-17)19(31)10-13-11-27-8-7-18(13)30-9-1-2-14(24)12-30;1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h3-6,8,10-11,15H,1-2,7,9,12,27-28H2,(H2,29,31);3-6,9-11,14H,1-2,7-8,12,27-28H2,(H2,29,31);1,3,5-9,11,13,17H,2,4,10,12,14,24-25H2,(H2,26,31,32);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t15-;14-;17-;2*14-/m00000/s1
InChIKeyBLSQZGQNTGEXJY-FJHYYTKNSA-N
MW2265.52 g/mol
LogP11.53
Rot. Bonds27

About 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 157388611) has the molecular formula C113H124F7N35O8S and a molecular weight of 2265.52 g/mol. Its IUPAC name is 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID157388611
Molecular FormulaC113H124F7N35O8S
Molecular Weight2265.52 g/mol
Exact Mass2264.00
IUPAC Name1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(C(F)(F)F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)n1.Nc1ccc(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/2C23H24F3N7O.C23H26N6O3S.C22H24FN7O.C22H26N8O2/c24-23(25,26)16-8-13(11-31-22(16)29)18-4-3-17(28)21(32-18)20(34)9-14-10-30-6-5-19(14)33-7-1-2-15(27)12-33;24-23(25,26)16-9-21(29)31-11-15(16)18-4-3-17(28)22(32-18)20(34)8-13-10-30-6-5-19(13)33-7-1-2-14(27)12-33;24-17-4-2-10-29(14-17)21-8-9-27-13-16(21)12-22(30)23-19(25)6-7-20(28-23)15-3-1-5-18(11-15)33(26,31)32;23-22-15(3-6-20(26)29-22)17-5-4-16(25)21(28-17)19(31)10-13-11-27-8-7-18(13)30-9-1-2-14(24)12-30;1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h3-6,8,10-11,15H,1-2,7,9,12,27-28H2,(H2,29,31);3-6,9-11,14H,1-2,7-8,12,27-28H2,(H2,29,31);1,3,5-9,11,13,17H,2,4,10,12,14,24-25H2,(H2,26,31,32);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t15-;14-;17-;2*14-/m00000/s1
InChIKeyBLSQZGQNTGEXJY-FJHYYTKNSA-N
XLogP11.53
TPSA728.57 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.52
LogP ≤ 511.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone 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

8-(5-fluoro-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(5-methoxy-6-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;3-[3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]benzenesulfonamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one
CID 158791199
1-[3-amino-6-(3-fluoro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-pyrimidin-5-yl-2-pyridinyl)ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone
CID 160222281
1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 157388612
N-[4-[5-(dibutylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[2-(2,4-difluorophenyl)-2-oxoethyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;4-[5-(dimethylsulfamoylamino)-3-pyridinyl]-2-(2-oxopropyl)pyridine;N-[4-[5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
CID 158694275
1-[3-amino-6-(6-amino-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-chloro-2-fluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,4-diaminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 160872280

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 157388611) is 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(C(F)(F)F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)n1.Nc1ccc(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is BLSQZGQNTGEXJY-FJHYYTKNSA-N. The full InChI is InChI=1S/2C23H24F3N7O.C23H26N6O3S.C22H24FN7O.C22H26N8O2/c24-23(25,26)16-8-13(11-31-22(16)29)18-4-3-17(28)21(32-18)20(34)9-14-10-30-6-5-19(14)33-7-1-2-15(27)12-33;24-23(25,26)16-9-21(29)31-11-15(16)18-4-3-17(28)22(32-18)20(34)8-13-10-30-6-5-19(13)33-7-1-2-14(27)12-33;24-17-4-2-10-29(14-17)21-8-9-27-13-16(21)12-22(30)23-19(25)6-7-20(28-23)15-3-1-5-18(11-15)33(26,31)32;23-22-15(3-6-20(26)29-22)17-5-4-16(25)21(28-17)19(31)10-13-11-27-8-7-18(13)30-9-1-2-14(24)12-30;1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h3-6,8,10-11,15H,1-2,7,9,12,27-28H2,(H2,29,31);3-6,9-11,14H,1-2,7-8,12,27-28H2,(H2,29,31);1,3,5-9,11,13,17H,2,4,10,12,14,24-25H2,(H2,26,31,32);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t15-;14-;17-;2*14-/m00000/s1.
What are the key properties of 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 2265.52 g/mol, XLogP of 11.53, 27 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(6-amino-2-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzenesulfonamide;1-[3-amino-6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 157388611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).