(5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C33H44N4O6 — CID 159228873

About (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 159228873) has the molecular formula C33H44N4O6 and a molecular weight of 592.74 g/mol. Its IUPAC name is (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
• PubChem CID: 159228873
• Molecular Formula: C33H44N4O6
• Molecular Weight: 592.74 g/mol
• Exact Mass: 592.33
• IUPAC Name: (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
• SMILES: COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)[C@@H]2CCc3[nH]ncc3C2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C33H44N4O6/c1-20(35-31(40)23-10-13-27-25(16-23)18-34-37-27)29(38)17-24(14-22-8-11-26(42-3)12-9-22)32(41)36-28(15-21-6-4-5-7-21)30(39)33(2)19-43-33/h8-9,11-12,18,20-21,23-24,28H,4-7,10,13-17,19H2,1-3H3,(H,34,37)(H,35,40)(H,36,41)/t20-,23-,24-,28+,33-/m1/s1
• InChIKey: GMPFDGRLDFKFFZ-VZOGEJISSA-N
• XLogP: 3.27
• TPSA: 142.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.74
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?

The IUPAC name of (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 159228873) is (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

What is the SMILES notation for (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?

The canonical SMILES for (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)[C@@H]2CCc3[nH]ncc3C2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?

The InChIKey is GMPFDGRLDFKFFZ-VZOGEJISSA-N. The full InChI is InChI=1S/C33H44N4O6/c1-20(35-31(40)23-10-13-27-25(16-23)18-34-37-27)29(38)17-24(14-22-8-11-26(42-3)12-9-22)32(41)36-28(15-21-6-4-5-7-21)30(39)33(2)19-43-33/h8-9,11-12,18,20-21,23-24,28H,4-7,10,13-17,19H2,1-3H3,(H,34,37)(H,35,40)(H,36,41)/t20-,23-,24-,28+,33-/m1/s1.

What are the key properties of (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?

(5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 592.74 g/mol, XLogP of 3.27, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-[(2R,5R)-6-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 159228873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).