1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone

C114H122ClF6N31O5 — CID 161010540

IUPAC1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
SMILESCCc1ccnc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.Nc1ccc(-c2cc(C(F)(F)F)ccn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(C(F)(F)F)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(Cl)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ncccc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C24H28N6O.2C23H23F3N6O.C22H23ClN6O.C22H25N7O/c1-2-16-7-10-28-21(12-16)20-6-5-19(26)24(29-20)23(31)13-17-14-27-9-8-22(17)30-11-3-4-18(25)15-30;24-23(25,26)15-3-5-18(30-12-15)19-6-4-17(28)22(31-19)21(33)10-14-11-29-8-7-20(14)32-9-1-2-16(27)13-32;24-23(25,26)15-5-8-30-19(11-15)18-4-3-17(28)22(31-18)21(33)10-14-12-29-7-6-20(14)32-9-1-2-16(27)13-32;23-15-3-5-18(27-12-15)19-6-4-17(25)22(28-19)21(30)10-14-11-26-8-7-20(14)29-9-1-2-16(24)13-29;23-15-3-2-10-29(13-15)19-7-9-26-12-14(19)11-20(30)22-17(25)5-6-18(28-22)21-16(24)4-1-8-27-21/h5-10,12,14,18H,2-4,11,13,15,25-26H2,1H3;2*3-8,11-12,16H,1-2,9-10,13,27-28H2;3-8,11-12,16H,1-2,9-10,13,24-25H2;1,4-9,12,15H,2-3,10-11,13,23-25H2/t18-;3*16-;15-/m00000/s1
InChIKeyTXBLQWUMYZLCGT-LSAYWFHBSA-N
MW2155.88 g/mol
LogP15.20
Rot. Bonds26

About 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone

1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone (PubChem CID 161010540) has the molecular formula C114H122ClF6N31O5 and a molecular weight of 2155.88 g/mol. Its IUPAC name is 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
PubChem CID161010540
Molecular FormulaC114H122ClF6N31O5
Molecular Weight2155.88 g/mol
Exact Mass2153.98
IUPAC Name1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
SMILESCCc1ccnc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.Nc1ccc(-c2cc(C(F)(F)F)ccn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(C(F)(F)F)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(Cl)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ncccc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C24H28N6O.2C23H23F3N6O.C22H23ClN6O.C22H25N7O/c1-2-16-7-10-28-21(12-16)20-6-5-19(26)24(29-20)23(31)13-17-14-27-9-8-22(17)30-11-3-4-18(25)15-30;24-23(25,26)15-3-5-18(30-12-15)19-6-4-17(28)22(31-19)21(33)10-14-11-29-8-7-20(14)32-9-1-2-16(27)13-32;24-23(25,26)15-5-8-30-19(11-15)18-4-3-17(28)22(31-18)21(33)10-14-12-29-7-6-20(14)32-9-1-2-16(27)13-32;23-15-3-5-18(27-12-15)19-6-4-17(25)22(28-19)21(30)10-14-11-26-8-7-20(14)29-9-1-2-16(24)13-29;23-15-3-2-10-29(13-15)19-7-9-26-12-14(19)11-20(30)22-17(25)5-6-18(28-22)21-16(24)4-1-8-27-21/h5-10,12,14,18H,2-4,11,13,15,25-26H2,1H3;2*3-8,11-12,16H,1-2,9-10,13,27-28H2;3-8,11-12,16H,1-2,9-10,13,24-25H2;1,4-9,12,15H,2-3,10-11,13,23-25H2/t18-;3*16-;15-/m00000/s1
InChIKeyTXBLQWUMYZLCGT-LSAYWFHBSA-N
XLogP15.20
TPSA581.12 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.88
LogP ≤ 515.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone (CID 161010540) is 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone is CCc1ccnc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.Nc1ccc(-c2cc(C(F)(F)F)ccn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(C(F)(F)F)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ccc(Cl)cn2)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2ncccc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone?
The InChIKey is TXBLQWUMYZLCGT-LSAYWFHBSA-N. The full InChI is InChI=1S/C24H28N6O.2C23H23F3N6O.C22H23ClN6O.C22H25N7O/c1-2-16-7-10-28-21(12-16)20-6-5-19(26)24(29-20)23(31)13-17-14-27-9-8-22(17)30-11-3-4-18(25)15-30;24-23(25,26)15-3-5-18(30-12-15)19-6-4-17(28)22(31-19)21(33)10-14-11-29-8-7-20(14)32-9-1-2-16(27)13-32;24-23(25,26)15-5-8-30-19(11-15)18-4-3-17(28)22(31-18)21(33)10-14-12-29-7-6-20(14)32-9-1-2-16(27)13-32;23-15-3-5-18(27-12-15)19-6-4-17(25)22(28-19)21(30)10-14-11-26-8-7-20(14)29-9-1-2-16(24)13-29;23-15-3-2-10-29(13-15)19-7-9-26-12-14(19)11-20(30)22-17(25)5-6-18(28-22)21-16(24)4-1-8-27-21/h5-10,12,14,18H,2-4,11,13,15,25-26H2,1H3;2*3-8,11-12,16H,1-2,9-10,13,27-28H2;3-8,11-12,16H,1-2,9-10,13,24-25H2;1,4-9,12,15H,2-3,10-11,13,23-25H2/t18-;3*16-;15-/m00000/s1.
What are the key properties of 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone?
1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone has a molecular weight of 2155.88 g/mol, XLogP of 15.20, 26 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-amino-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-chloro-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-ethyl-2-pyridinyl)-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-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone;2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 161010540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).