tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone

C110H157FN34O8Si4 — CID 159130380

IUPACtert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CC(=O)N1CCCC(Nc2ncccc2-c2cnc3nc[nH]c3n2)C1.CC(C)(C)OC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CN1CCCC(N)C1.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3F)cnc21.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3NC3CCCCC3)cnc21
InChIInChI=1S/C26H39N7O3Si.C23H33N7O2Si.C22H32N6OSi.C17H19N7O.C16H20FN5OSi.C6H14N2/c1-26(2,3)36-25(34)32-12-8-9-19(16-32)30-22-20(10-7-11-27-22)21-15-28-24-23(31-21)29-17-33(24)18-35-13-14-37(4,5)6;1-17(31)29-10-6-7-18(14-29)27-21-19(8-5-9-24-21)20-13-25-23-22(28-20)26-15-30(23)16-32-11-12-33(2,3)4;1-30(2,3)13-12-29-16-28-15-25-21-22(28)24-14-19(27-21)18-10-7-11-23-20(18)26-17-8-5-4-6-9-17;1-11(25)24-7-3-4-12(9-24)22-15-13(5-2-6-18-15)14-8-19-16-17(23-14)21-10-20-16;1-24(2,3)8-7-23-11-22-10-20-15-16(22)19-9-13(21-15)12-5-4-6-18-14(12)17;1-8-4-2-3-6(7)5-8/h7,10-11,15,17,19H,8-9,12-14,16,18H2,1-6H3,(H,27,30);5,8-9,13,15,18H,6-7,10-12,14,16H2,1-4H3,(H,24,27);7,10-11,14-15,17H,4-6,8-9,12-13,16H2,1-3H3,(H,23,26);2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,22)(H,19,20,21,23);4-6,9-10H,7-8,11H2,1-3H3;6H,2-5,7H2,1H3
InChIKeyKGUVRTOQQLTPFI-UHFFFAOYSA-N
MW2215.04 g/mol
LogP18.80
Rot. Bonds33

About tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone

tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 159130380) has the molecular formula C110H157FN34O8Si4 and a molecular weight of 2215.04 g/mol. Its IUPAC name is tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nametert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID159130380
Molecular FormulaC110H157FN34O8Si4
Molecular Weight2215.04 g/mol
Exact Mass2213.20
IUPAC Nametert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CC(=O)N1CCCC(Nc2ncccc2-c2cnc3nc[nH]c3n2)C1.CC(C)(C)OC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CN1CCCC(N)C1.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3F)cnc21.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3NC3CCCCC3)cnc21
InChIInChI=1S/C26H39N7O3Si.C23H33N7O2Si.C22H32N6OSi.C17H19N7O.C16H20FN5OSi.C6H14N2/c1-26(2,3)36-25(34)32-12-8-9-19(16-32)30-22-20(10-7-11-27-22)21-15-28-24-23(31-21)29-17-33(24)18-35-13-14-37(4,5)6;1-17(31)29-10-6-7-18(14-29)27-21-19(8-5-9-24-21)20-13-25-23-22(28-20)26-15-30(23)16-32-11-12-33(2,3)4;1-30(2,3)13-12-29-16-28-15-25-21-22(28)24-14-19(27-21)18-10-7-11-23-20(18)26-17-8-5-4-6-9-17;1-11(25)24-7-3-4-12(9-24)22-15-13(5-2-6-18-15)14-8-19-16-17(23-14)21-10-20-16;1-24(2,3)8-7-23-11-22-10-20-15-16(22)19-9-13(21-15)12-5-4-6-18-14(12)17;1-8-4-2-3-6(7)5-8/h7,10-11,15,17,19H,8-9,12-14,16,18H2,1-6H3,(H,27,30);5,8-9,13,15,18H,6-7,10-12,14,16H2,1-4H3,(H,24,27);7,10-11,14-15,17H,4-6,8-9,12-13,16H2,1-3H3,(H,23,26);2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,22)(H,19,20,21,23);4-6,9-10H,7-8,11H2,1-3H3;6H,2-5,7H2,1H3
InChIKeyKGUVRTOQQLTPFI-UHFFFAOYSA-N
XLogP18.80
TPSA477.77 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002215.04
LogP ≤ 518.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 159130380) is tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CC(=O)N1CCCC(Nc2ncccc2-c2cnc3nc[nH]c3n2)C1.CC(C)(C)OC(=O)N1CCCC(Nc2ncccc2-c2cnc3c(ncn3COCC[Si](C)(C)C)n2)C1.CN1CCCC(N)C1.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3F)cnc21.C[Si](C)(C)CCOCn1cnc2nc(-c3cccnc3NC3CCCCC3)cnc21.
What is the InChIKey of tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is KGUVRTOQQLTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O3Si.C23H33N7O2Si.C22H32N6OSi.C17H19N7O.C16H20FN5OSi.C6H14N2/c1-26(2,3)36-25(34)32-12-8-9-19(16-32)30-22-20(10-7-11-27-22)21-15-28-24-23(31-21)29-17-33(24)18-35-13-14-37(4,5)6;1-17(31)29-10-6-7-18(14-29)27-21-19(8-5-9-24-21)20-13-25-23-22(28-20)26-15-30(23)16-32-11-12-33(2,3)4;1-30(2,3)13-12-29-16-28-15-25-21-22(28)24-14-19(27-21)18-10-7-11-23-20(18)26-17-8-5-4-6-9-17;1-11(25)24-7-3-4-12(9-24)22-15-13(5-2-6-18-15)14-8-19-16-17(23-14)21-10-20-16;1-24(2,3)8-7-23-11-22-10-20-15-16(22)19-9-13(21-15)12-5-4-6-18-14(12)17;1-8-4-2-3-6(7)5-8/h7,10-11,15,17,19H,8-9,12-14,16,18H2,1-6H3,(H,27,30);5,8-9,13,15,18H,6-7,10-12,14,16H2,1-4H3,(H,24,27);7,10-11,14-15,17H,4-6,8-9,12-13,16H2,1-3H3,(H,23,26);2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,22)(H,19,20,21,23);4-6,9-10H,7-8,11H2,1-3H3;6H,2-5,7H2,1H3.
What are the key properties of tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 2215.04 g/mol, XLogP of 18.80, 33 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-cyclohexyl-3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;2-[[5-(2-fluoro-3-pyridinyl)imidazo[4,5-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane;1-[3-[[3-(3H-imidazo[4,5-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone;1-methylpiperidin-3-amine;1-[3-[[3-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 159130380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).