5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)

C111H158Br2N24O12Si3 — CID 158070487

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide) (PubChem CID 158070487) has the molecular formula C111H158Br2N24O12Si3 and a molecular weight of 2264.71 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide).

Molecular Properties

• Compound Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)
• PubChem CID: 158070487
• Molecular Formula: C111H158Br2N24O12Si3
• Molecular Weight: 2264.71 g/mol
• Exact Mass: 2261.02
• IUPAC Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)
• SMILES: C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(O)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(O)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C.O=C(O)c1ccc(C2(O)CC2)cc1.OC1(c2ccc(Br)cc2)CC1.OC1(c2ccc(Br)cc2)CC1
• InChI: InChI=1S/2C25H30N8O3.C15H22N8O.C10H10O3.2C9H9BrO.3C6H16Si/c2*1-15-19(30-24(35)16-5-7-17(8-6-16)25(36)9-10-25)4-3-11-33(15)20-13-27-21(22(26)34)23(31-20)29-18-12-28-32(2)14-18;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;11-9(12)7-1-3-8(4-2-7)10(13)5-6-10;2*10-8-3-1-7(2-4-8)9(11)5-6-9;3*1-6(2,3)7(4)5/h2*5-8,12-15,19,36H,3-4,9-11H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);1-4,13H,5-6H2,(H,11,12);2*1-4,11H,5-6H2;3*7H,1-5H3/t2*15-,19-;9-,11-;;;;;;/m111....../s1
• InChIKey: FLTLETXSRSNDNL-FPFAMXEZSA-N
• XLogP: 17.06
• TPSA: 528.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2264.71
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)?

The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide) (CID 158070487) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide).

What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)?

The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide) is C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(O)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(O)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C.O=C(O)c1ccc(C2(O)CC2)cc1.OC1(c2ccc(Br)cc2)CC1.OC1(c2ccc(Br)cc2)CC1.

What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)?

The InChIKey is FLTLETXSRSNDNL-FPFAMXEZSA-N. The full InChI is InChI=1S/2C25H30N8O3.C15H22N8O.C10H10O3.2C9H9BrO.3C6H16Si/c2*1-15-19(30-24(35)16-5-7-17(8-6-16)25(36)9-10-25)4-3-11-33(15)20-13-27-21(22(26)34)23(31-20)29-18-12-28-32(2)14-18;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;11-9(12)7-1-3-8(4-2-7)10(13)5-6-10;2*10-8-3-1-7(2-4-8)9(11)5-6-9;3*1-6(2,3)7(4)5/h2*5-8,12-15,19,36H,3-4,9-11H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);1-4,13H,5-6H2,(H,11,12);2*1-4,11H,5-6H2;3*7H,1-5H3/t2*15-,19-;9-,11-;;;;;;/m111....../s1.

What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide)?

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide) has a molecular weight of 2264.71 g/mol, XLogP of 17.06, 22 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;bis(1-(4-bromophenyl)cyclopropan-1-ol);tris(tert-butyl(dimethyl)silane);4-(1-hydroxycyclopropyl)benzoic acid;bis(5-[(2R,3R)-3-[[4-(1-hydroxycyclopropyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide) is sourced from PubChem (CID 158070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).