N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide

C117H133F3N12O21 — CID 157313965

About N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide

N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide (PubChem CID 157313965) has the molecular formula C117H133F3N12O21 and a molecular weight of 2100.41 g/mol. Its IUPAC name is N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide.

Molecular Properties

• Compound Name: N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide
• PubChem CID: 157313965
• Molecular Formula: C117H133F3N12O21
• Molecular Weight: 2100.41 g/mol
• Exact Mass: 2098.97
• IUPAC Name: N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide
• SMILES: COc1ccc(C[C@H](CC(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H]2CCCC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.COc1ccc(C[C@H](NC(=O)c2cccc(=O)[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.COc1ccc(C[C@H](NC(=O)c2ccnc(N3CCOCC3)n2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1
• InChI: InChI=1S/C32H37N5O5.C29H35N3O5.C29H31N3O5.C27H30F3NO6/c1-32(13-14-32)28(38)26(20-22-6-4-3-5-7-22)34-30(40)27(21-23-8-10-24(41-2)11-9-23)35-29(39)25-12-15-33-31(36-25)37-16-18-42-19-17-37;2*1-29(15-16-29)26(34)23(17-19-7-4-3-5-8-19)31-28(36)24(18-20-11-13-21(37-2)14-12-20)32-27(35)22-9-6-10-25(33)30-22;1-25(16-37-25)23(33)21(14-17-7-5-4-6-8-17)31-24(34)19(13-18-9-11-20(36-3)12-10-18)15-22(32)26(2,35)27(28,29)30/h3-12,15,26-27H,13-14,16-21H2,1-2H3,(H,34,40)(H,35,39);3-5,7-8,11-14,22-24H,6,9-10,15-18H2,1-2H3,(H,30,33)(H,31,36)(H,32,35);3-14,23-24H,15-18H2,1-2H3,(H,30,33)(H,31,36)(H,32,35);4-12,19,21,35H,13-16H2,1-3H3,(H,31,34)/t26-,27-;22-,23+,24+;23-,24-;19-,21+,25-,26-/m0101/s1
• InChIKey: BDJGBRNKANTMTC-ALVGMKMBSA-N
• XLogP: 11.28
• TPSA: 458.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.41
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The IUPAC name of N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide (CID 157313965) is N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide.

What is the SMILES notation for N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The canonical SMILES for N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide is COc1ccc(C[C@H](CC(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H]2CCCC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.COc1ccc(C[C@H](NC(=O)c2cccc(=O)[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.COc1ccc(C[C@H](NC(=O)c2ccnc(N3CCOCC3)n2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.

What is the InChIKey of N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The InChIKey is BDJGBRNKANTMTC-ALVGMKMBSA-N. The full InChI is InChI=1S/C32H37N5O5.C29H35N3O5.C29H31N3O5.C27H30F3NO6/c1-32(13-14-32)28(38)26(20-22-6-4-3-5-7-22)34-30(40)27(21-23-8-10-24(41-2)11-9-23)35-29(39)25-12-15-33-31(36-25)37-16-18-42-19-17-37;2*1-29(15-16-29)26(34)23(17-19-7-4-3-5-8-19)31-28(36)24(18-20-11-13-21(37-2)14-12-20)32-27(35)22-9-6-10-25(33)30-22;1-25(16-37-25)23(33)21(14-17-7-5-4-6-8-17)31-24(34)19(13-18-9-11-20(36-3)12-10-18)15-22(32)26(2,35)27(28,29)30/h3-12,15,26-27H,13-14,16-21H2,1-2H3,(H,34,40)(H,35,39);3-5,7-8,11-14,22-24H,6,9-10,15-18H2,1-2H3,(H,30,33)(H,31,36)(H,32,35);3-14,23-24H,15-18H2,1-2H3,(H,30,33)(H,31,36)(H,32,35);4-12,19,21,35H,13-16H2,1-3H3,(H,31,34)/t26-,27-;22-,23+,24+;23-,24-;19-,21+,25-,26-/m0101/s1.

What are the key properties of N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide has a molecular weight of 2100.41 g/mol, XLogP of 11.28, 46 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide;(2R)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide;N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;(2R,5R)-6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide is sourced from PubChem (CID 157313965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).