(2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C30H37F6N5O10 — CID 175758199

About (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

(2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 175758199) has the molecular formula C30H37F6N5O10 and a molecular weight of 741.64 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 175758199
• Molecular Formula: C30H37F6N5O10
• Molecular Weight: 741.64 g/mol
• Exact Mass: 741.24
• IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)OCCCCN3CCOCC3)c2C1)Cc1cc(F)c(F)cc1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O
• InChI: InChI=1S/C26H31F6N5O4.C4H6O6/c27-18-14-20(29)19(28)12-16(18)11-17(33)13-22(38)36-4-5-37-21(15-36)23(34-25(37)26(30,31)32)24(39)41-8-2-1-3-35-6-9-40-10-7-35;5-1(3(7)8)2(6)4(9)10/h12,14,17H,1-11,13,15,33H2;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m11/s1
• InChIKey: AXFCIPZMBQADRN-MYNXEKQJSA-N
• XLogP: 0.77
• TPSA: 217.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.64
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 175758199) is (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)OCCCCN3CCOCC3)c2C1)Cc1cc(F)c(F)cc1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O.

What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is AXFCIPZMBQADRN-MYNXEKQJSA-N. The full InChI is InChI=1S/C26H31F6N5O4.C4H6O6/c27-18-14-20(29)19(28)12-16(18)11-17(33)13-22(38)36-4-5-37-21(15-36)23(34-25(37)26(30,31)32)24(39)41-8-2-1-3-35-6-9-40-10-7-35;5-1(3(7)8)2(6)4(9)10/h12,14,17H,1-11,13,15,33H2;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m11/s1.

What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

(2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 741.64 g/mol, XLogP of 0.77, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-ylbutyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 175758199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).