tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen

C129H186N18O13Si2 — CID 158462772

About tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen

tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen (PubChem CID 158462772) has the molecular formula C129H186N18O13Si2 and a molecular weight of 2253.19 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen
• PubChem CID: 158462772
• Molecular Formula: C129H186N18O13Si2
• Molecular Weight: 2253.19 g/mol
• Exact Mass: 2251.40
• IUPAC Name: tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen
• SMILES: C.CC(C)(C)OC(=O)N1C(Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1cccnc1.CCC(NC)c1cc(C)[nH]n1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(CC2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(CC2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.[H][H]
• InChI: InChI=1S/C37H55N5O4Si.C29H42N2O5Si.2C27H34N4O2.C8H15N3.CH4.H2/c1-12-31(30-22-25(2)39-40-30)41(9)34(43)27-17-15-26(16-18-27)23-29-19-20-32(42(29)35(44)45-36(3,4)5)33(28-14-13-21-38-24-28)46-47(10,11)37(6,7)8;1-28(2,3)35-27(34)31-23(18-20-11-13-21(14-12-20)26(32)33)15-16-24(31)25(22-10-9-17-30-19-22)36-37(7,8)29(4,5)6;2*1-4-25(24-14-18(2)29-30-24)31(3)27(33)21-10-7-19(8-11-21)15-20-9-12-22(16-20)26(32)23-6-5-13-28-17-23;1-4-7(9-3)8-5-6(2)10-11-8;;/h13-18,21-22,24,29,31-33H,12,19-20,23H2,1-11H3,(H,39,40);9-14,17,19,23-25H,15-16,18H2,1-8H3,(H,32,33);2*5-8,10-11,13-14,17,20,22,25-26,32H,4,9,12,15-16H2,1-3H3,(H,29,30);5,7,9H,4H2,1-3H3,(H,10,11);1H4;1H/t29?,31?,32-,33-;23?,24-,25-;20?,22-,25?,26-;20-,22-,25?,26-;;;/m1100.../s1
• InChIKey: HFJQAGHGQMUJRC-WGWIHZFWSA-N
• XLogP: 27.59
• TPSA: 394.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.19
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen?

The IUPAC name of tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen (CID 158462772) is tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen.

What is the SMILES notation for tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen?

The canonical SMILES for tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen is C.CC(C)(C)OC(=O)N1C(Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1cccnc1.CCC(NC)c1cc(C)[nH]n1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(CC2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(CC2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.CCC(c1cc(C)[nH]n1)N(C)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.[H][H].

What is the InChIKey of tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen?

The InChIKey is HFJQAGHGQMUJRC-WGWIHZFWSA-N. The full InChI is InChI=1S/C37H55N5O4Si.C29H42N2O5Si.2C27H34N4O2.C8H15N3.CH4.H2/c1-12-31(30-22-25(2)39-40-30)41(9)34(43)27-17-15-26(16-18-27)23-29-19-20-32(42(29)35(44)45-36(3,4)5)33(28-14-13-21-38-24-28)46-47(10,11)37(6,7)8;1-28(2,3)35-27(34)31-23(18-20-11-13-21(14-12-20)26(32)33)15-16-24(31)25(22-10-9-17-30-19-22)36-37(7,8)29(4,5)6;2*1-4-25(24-14-18(2)29-30-24)31(3)27(33)21-10-7-19(8-11-21)15-20-9-12-22(16-20)26(32)23-6-5-13-28-17-23;1-4-7(9-3)8-5-6(2)10-11-8;;/h13-18,21-22,24,29,31-33H,12,19-20,23H2,1-11H3,(H,39,40);9-14,17,19,23-25H,15-16,18H2,1-8H3,(H,32,33);2*5-8,10-11,13-14,17,20,22,25-26,32H,4,9,12,15-16H2,1-3H3,(H,29,30);5,7,9H,4H2,1-3H3,(H,10,11);1H4;1H/t29?,31?,32-,33-;23?,24-,25-;20?,22-,25?,26-;20-,22-,25?,26-;;;/m1100.../s1.

What are the key properties of tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen?

tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen has a molecular weight of 2253.19 g/mol, XLogP of 27.59, 36 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen is sourced from PubChem (CID 158462772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).