tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine

C66H88N10O11 — CID 158745854

About tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 158745854) has the molecular formula C66H88N10O11 and a molecular weight of 1197.49 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 158745854
• Molecular Formula: C66H88N10O11
• Molecular Weight: 1197.49 g/mol
• Exact Mass: 1196.66
• IUPAC Name: tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1)N(C)C(=O)OC(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCOCC1)N(C)C(=O)OC(C)(C)C.c1ccc(-c2cccc3nc([C@@H]4CCCN4)cn23)cc1
• InChI: InChI=1S/C33H43N5O5.C17H17N3.C16H28N2O6/c1-22(36(5)32(41)43-33(2,3)4)30(39)35-29(24-16-19-42-20-17-24)31(40)37-18-10-14-27(37)25-21-38-26(13-9-15-28(38)34-25)23-11-7-6-8-12-23;1-2-6-13(7-3-1)16-9-4-10-17-19-15(12-20(16)17)14-8-5-11-18-14;1-10(18(5)15(22)24-16(2,3)4)13(19)17-12(14(20)21)11-6-8-23-9-7-11/h6-9,11-13,15,21-22,24,27,29H,10,14,16-20H2,1-5H3,(H,35,39);1-4,6-7,9-10,12,14,18H,5,8,11H2;10-12H,6-9H2,1-5H3,(H,17,19)(H,20,21)/t22-,27-,29-;14-;10-,12-/m000/s1
• InChIKey: IMWKDRBLKKAMLX-WFBCPNOUSA-N
• XLogP: 9.50
• TPSA: 239.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.49
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine (CID 158745854) is tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine is C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1)N(C)C(=O)OC(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCOCC1)N(C)C(=O)OC(C)(C)C.c1ccc(-c2cccc3nc([C@@H]4CCCN4)cn23)cc1.

What is the InChIKey of tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is IMWKDRBLKKAMLX-WFBCPNOUSA-N. The full InChI is InChI=1S/C33H43N5O5.C17H17N3.C16H28N2O6/c1-22(36(5)32(41)43-33(2,3)4)30(39)35-29(24-16-19-42-20-17-24)31(40)37-18-10-14-27(37)25-21-38-26(13-9-15-28(38)34-25)23-11-7-6-8-12-23;1-2-6-13(7-3-1)16-9-4-10-17-19-15(12-20(16)17)14-8-5-11-18-14;1-10(18(5)15(22)24-16(2,3)4)13(19)17-12(14(20)21)11-6-8-23-9-7-11/h6-9,11-13,15,21-22,24,27,29H,10,14,16-20H2,1-5H3,(H,35,39);1-4,6-7,9-10,12,14,18H,5,8,11H2;10-12H,6-9H2,1-5H3,(H,17,19)(H,20,21)/t22-,27-,29-;14-;10-,12-/m000/s1.

What are the key properties of tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine?

tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1197.49 g/mol, XLogP of 9.50, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[(2S)-1-[[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]carbamate;(2S)-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-2-(oxan-4-yl)acetic acid;5-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158745854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).