3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol

C102H131BrN24O13Si2 — CID 157302546

IUPAC3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
SMILESC#Cc1cc(-c2cccc(C#N)c2)nc(N)n1.CC(C)(C)[Si](C)(C)OCc1cccc(Br)n1.CC1CCN(c2cccc(CN=[N+]=[N-])n2)CC1.CC1CCN(c2cccc(CO)n2)CC1.CC1CCN(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1.COC(=O)C1CCNCC1.N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H23N9.C18H32N2OSi.C13H8N4.C12H20BrNOSi.C12H17N5.C12H18N2O.C7H13NO2.4CO2/c25-14-17-6-4-7-18(12-17)20-13-21(29-24(26)28-20)22-16-33(31-30-22)15-19-8-5-9-23(27-19)32-10-2-1-3-11-32;1-15-10-12-20(13-11-15)17-9-7-8-16(19-17)14-21-22(5,6)18(2,3)4;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14;1-12(2,3)16(4,5)15-9-10-7-6-8-11(13)14-10;1-10-5-7-17(8-6-10)12-4-2-3-11(15-12)9-14-16-13;1-10-5-7-14(8-6-10)12-4-2-3-11(9-15)13-12;1-10-7(9)6-2-4-8-5-3-6;4*2-1-3/h4-9,12-13,16H,1-3,10-11,15H2,(H2,26,28,29);7-9,15H,10-14H2,1-6H3;1,3-7H,(H2,15,16,17);6-8H,9H2,1-5H3;2-4,10H,5-9H2,1H3;2-4,10,15H,5-9H2,1H3;6,8H,2-5H2,1H3;;;;
InChIKeyBCBMMOAKMBCEHP-UHFFFAOYSA-N
MW2037.40 g/mol
LogP16.84
Rot. Bonds19

About 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol

3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol (PubChem CID 157302546) has the molecular formula C102H131BrN24O13Si2 and a molecular weight of 2037.40 g/mol. Its IUPAC name is 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
PubChem CID157302546
Molecular FormulaC102H131BrN24O13Si2
Molecular Weight2037.40 g/mol
Exact Mass2034.90
IUPAC Name3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
SMILESC#Cc1cc(-c2cccc(C#N)c2)nc(N)n1.CC(C)(C)[Si](C)(C)OCc1cccc(Br)n1.CC1CCN(c2cccc(CN=[N+]=[N-])n2)CC1.CC1CCN(c2cccc(CO)n2)CC1.CC1CCN(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1.COC(=O)C1CCNCC1.N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H23N9.C18H32N2OSi.C13H8N4.C12H20BrNOSi.C12H17N5.C12H18N2O.C7H13NO2.4CO2/c25-14-17-6-4-7-18(12-17)20-13-21(29-24(26)28-20)22-16-33(31-30-22)15-19-8-5-9-23(27-19)32-10-2-1-3-11-32;1-15-10-12-20(13-11-15)17-9-7-8-16(19-17)14-21-22(5,6)18(2,3)4;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14;1-12(2,3)16(4,5)15-9-10-7-6-8-11(13)14-10;1-10-5-7-17(8-6-10)12-4-2-3-11(15-12)9-14-16-13;1-10-5-7-14(8-6-10)12-4-2-3-11(9-15)13-12;1-10-7(9)6-2-4-8-5-3-6;4*2-1-3/h4-9,12-13,16H,1-3,10-11,15H2,(H2,26,28,29);7-9,15H,10-14H2,1-6H3;1,3-7H,(H2,15,16,17);6-8H,9H2,1-5H3;2-4,10H,5-9H2,1H3;2-4,10,15H,5-9H2,1H3;6,8H,2-5H2,1H3;;;;
InChIKeyBCBMMOAKMBCEHP-UHFFFAOYSA-N
XLogP16.84
TPSA521.64 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.40
LogP ≤ 516.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol (CID 157302546) is 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol is C#Cc1cc(-c2cccc(C#N)c2)nc(N)n1.CC(C)(C)[Si](C)(C)OCc1cccc(Br)n1.CC1CCN(c2cccc(CN=[N+]=[N-])n2)CC1.CC1CCN(c2cccc(CO)n2)CC1.CC1CCN(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1.COC(=O)C1CCNCC1.N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The InChIKey is BCBMMOAKMBCEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9.C18H32N2OSi.C13H8N4.C12H20BrNOSi.C12H17N5.C12H18N2O.C7H13NO2.4CO2/c25-14-17-6-4-7-18(12-17)20-13-21(29-24(26)28-20)22-16-33(31-30-22)15-19-8-5-9-23(27-19)32-10-2-1-3-11-32;1-15-10-12-20(13-11-15)17-9-7-8-16(19-17)14-21-22(5,6)18(2,3)4;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14;1-12(2,3)16(4,5)15-9-10-7-6-8-11(13)14-10;1-10-5-7-17(8-6-10)12-4-2-3-11(15-12)9-14-16-13;1-10-5-7-14(8-6-10)12-4-2-3-11(9-15)13-12;1-10-7(9)6-2-4-8-5-3-6;4*2-1-3/h4-9,12-13,16H,1-3,10-11,15H2,(H2,26,28,29);7-9,15H,10-14H2,1-6H3;1,3-7H,(H2,15,16,17);6-8H,9H2,1-5H3;2-4,10H,5-9H2,1H3;2-4,10,15H,5-9H2,1H3;6,8H,2-5H2,1H3;;;;.
What are the key properties of 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol has a molecular weight of 2037.40 g/mol, XLogP of 16.84, 19 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;3-[2-amino-6-[1-[(6-piperidin-1-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile;2-(azidomethyl)-6-(4-methylpiperidin-1-yl)pyridine;(6-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methoxy]silane;tetrakis(carbon dioxide);methyl piperidine-4-carboxylate;[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 157302546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).