1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C116H124ClF4N27O6 — CID 158372639

IUPAC1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cccc(C)c1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cccc(F)c2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccncc2Cl)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C25H29N5O.2C23H23F2N5O.C23H26N6O2.C22H23ClN6O/c1-16-5-3-6-17(2)24(16)21-9-8-20(27)25(29-21)23(31)13-18-14-28-11-10-22(18)30-12-4-7-19(26)15-30;24-16-4-1-5-17(25)22(16)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;24-17-5-1-4-16(22(17)25)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;1-31-23-17(5-2-9-27-23)19-7-6-18(25)22(28-19)21(30)12-15-13-26-10-8-20(15)29-11-3-4-16(24)14-29;23-17-12-27-7-5-16(17)19-4-3-18(25)22(28-19)21(30)10-14-11-26-8-6-20(14)29-9-1-2-15(24)13-29/h3,5-6,8-11,14,19H,4,7,12-13,15,26-27H2,1-2H3;2*1,4-9,12,15H,2-3,10-11,13,26-27H2;2,5-10,13,16H,3-4,11-12,14,24-25H2,1H3;3-8,11-12,15H,1-2,9-10,13,24-25H2/t19-;2*15-;16-;15-/m00000/s1
InChIKeyGUUMHZWAYLWERM-VXSQZBOCSA-N
MW2103.90 g/mol
LogP16.02
Rot. Bonds26

About 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 158372639) has the molecular formula C116H124ClF4N27O6 and a molecular weight of 2103.90 g/mol. Its IUPAC name is 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID158372639
Molecular FormulaC116H124ClF4N27O6
Molecular Weight2103.90 g/mol
Exact Mass2101.99
IUPAC Name1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cccc(C)c1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cccc(F)c2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccncc2Cl)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C25H29N5O.2C23H23F2N5O.C23H26N6O2.C22H23ClN6O/c1-16-5-3-6-17(2)24(16)21-9-8-20(27)25(29-21)23(31)13-18-14-28-11-10-22(18)30-12-4-7-19(26)15-30;24-16-4-1-5-17(25)22(16)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;24-17-5-1-4-16(22(17)25)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;1-31-23-17(5-2-9-27-23)19-7-6-18(25)22(28-19)21(30)12-15-13-26-10-8-20(15)29-11-3-4-16(24)14-29;23-17-12-27-7-5-16(17)19-4-3-18(25)22(28-19)21(30)10-14-11-26-8-6-20(14)29-9-1-2-15(24)13-29/h3,5-6,8-11,14,19H,4,7,12-13,15,26-27H2,1-2H3;2*1,4-9,12,15H,2-3,10-11,13,26-27H2;2,5-10,13,16H,3-4,11-12,14,24-25H2,1H3;3-8,11-12,15H,1-2,9-10,13,24-25H2/t19-;2*15-;16-;15-/m00000/s1
InChIKeyGUUMHZWAYLWERM-VXSQZBOCSA-N
XLogP16.02
TPSA525.66 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.90
LogP ≤ 516.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 158372639) is 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1ncccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cccc(C)c1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cccc(F)c2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccncc2Cl)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is GUUMHZWAYLWERM-VXSQZBOCSA-N. The full InChI is InChI=1S/C25H29N5O.2C23H23F2N5O.C23H26N6O2.C22H23ClN6O/c1-16-5-3-6-17(2)24(16)21-9-8-20(27)25(29-21)23(31)13-18-14-28-11-10-22(18)30-12-4-7-19(26)15-30;24-16-4-1-5-17(25)22(16)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;24-17-5-1-4-16(22(17)25)19-7-6-18(27)23(29-19)21(31)11-14-12-28-9-8-20(14)30-10-2-3-15(26)13-30;1-31-23-17(5-2-9-27-23)19-7-6-18(25)22(28-19)21(30)12-15-13-26-10-8-20(15)29-11-3-4-16(24)14-29;23-17-12-27-7-5-16(17)19-4-3-18(25)22(28-19)21(30)10-14-11-26-8-6-20(14)29-9-1-2-15(24)13-29/h3,5-6,8-11,14,19H,4,7,12-13,15,26-27H2,1-2H3;2*1,4-9,12,15H,2-3,10-11,13,26-27H2;2,5-10,13,16H,3-4,11-12,14,24-25H2,1H3;3-8,11-12,15H,1-2,9-10,13,24-25H2/t19-;2*15-;16-;15-/m00000/s1.
What are the key properties of 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 2103.90 g/mol, XLogP of 16.02, 26 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-chloro-4-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-dimethylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 158372639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).