1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C87H98ClFN30O4 — CID 158176955

IUPAC1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(Cl)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(F)nc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ncc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C22H24ClN7O.C22H24FN7O.C22H26N8O.C21H24N8O/c23-16-9-21(26)28-11-15(16)18-4-3-17(25)22(29-18)20(31)8-13-10-27-6-5-19(13)30-7-1-2-14(24)12-30;23-20-6-3-15(22(26)29-20)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;1-13-16(11-27-22(25)28-13)18-5-4-17(24)21(29-18)20(31)9-14-10-26-7-6-19(14)30-8-2-3-15(23)12-30;22-15-2-1-7-29(12-15)18-5-6-25-9-13(18)8-19(30)20-16(23)3-4-17(28-20)14-10-26-21(24)27-11-14/h3-6,9-11,14H,1-2,7-8,12,24-25H2,(H2,26,28);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,15H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,28);3-6,9-11,15H,1-2,7-8,12,22-23H2,(H2,24,26,27)/t2*14-;2*15-/m0000/s1
InChIKeyFYCQDRCVCUFFJM-DHSNDDBNSA-N
MW1682.40 g/mol
LogP8.11
Rot. Bonds20

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

1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 158176955) has the molecular formula C87H98ClFN30O4 and a molecular weight of 1682.40 g/mol. Its IUPAC name is 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID158176955
Molecular FormulaC87H98ClFN30O4
Molecular Weight1682.40 g/mol
Exact Mass1680.81
IUPAC Name1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(Cl)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(F)nc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ncc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C22H24ClN7O.C22H24FN7O.C22H26N8O.C21H24N8O/c23-16-9-21(26)28-11-15(16)18-4-3-17(25)22(29-18)20(31)8-13-10-27-6-5-19(13)30-7-1-2-14(24)12-30;23-20-6-3-15(22(26)29-20)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;1-13-16(11-27-22(25)28-13)18-5-4-17(24)21(29-18)20(31)9-14-10-26-7-6-19(14)30-8-2-3-15(23)12-30;22-15-2-1-7-29(12-15)18-5-6-25-9-13(18)8-19(30)20-16(23)3-4-17(28-20)14-10-26-21(24)27-11-14/h3-6,9-11,14H,1-2,7-8,12,24-25H2,(H2,26,28);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,15H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,28);3-6,9-11,15H,1-2,7-8,12,22-23H2,(H2,24,26,27)/t2*14-;2*15-/m0000/s1
InChIKeyFYCQDRCVCUFFJM-DHSNDDBNSA-N
XLogP8.11
TPSA573.94 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.40
LogP ≤ 58.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-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

3-amino-N-[4-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161865
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-[[(3S)-piperidin-3-yl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 169243295
N-[2-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-5-yl]-6-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 172271939
2-[7-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]acetyl]amino]heptylamino]-N-(6-cyclopropyl-5-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 178296154
N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67266924
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxamide
CID 68187397
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(6-amino-3-pyridinyl)-5-fluoropyridine-2-carboxamide
CID 68187457
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]pyridine-2-carboxamide
CID 68187521
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 68187584
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 68187613
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxamide
CID 68260852
6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 68265046

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 158176955) is 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is Cc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Nc1cc(Cl)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.Nc1ccc(-c2ccc(F)nc2N)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ncc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)cn1.
What is the InChIKey of 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is FYCQDRCVCUFFJM-DHSNDDBNSA-N. The full InChI is InChI=1S/C22H24ClN7O.C22H24FN7O.C22H26N8O.C21H24N8O/c23-16-9-21(26)28-11-15(16)18-4-3-17(25)22(29-18)20(31)8-13-10-27-6-5-19(13)30-7-1-2-14(24)12-30;23-20-6-3-15(22(26)29-20)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;1-13-16(11-27-22(25)28-13)18-5-4-17(24)21(29-18)20(31)9-14-10-26-7-6-19(14)30-8-2-3-15(23)12-30;22-15-2-1-7-29(12-15)18-5-6-25-9-13(18)8-19(30)20-16(23)3-4-17(28-20)14-10-26-21(24)27-11-14/h3-6,9-11,14H,1-2,7-8,12,24-25H2,(H2,26,28);3-8,11,14H,1-2,9-10,12,24-25H2,(H2,26,29);4-7,10-11,15H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,28);3-6,9-11,15H,1-2,7-8,12,22-23H2,(H2,24,26,27)/t2*14-;2*15-/m0000/s1.
What are the key properties of 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 1682.40 g/mol, XLogP of 8.11, 20 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(6-amino-4-chloro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-6-fluoro-3-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-amino-4-methylpyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-aminopyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 158176955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).