7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C18H17ClF3N9O2 — CID 11755063

About 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 11755063) has the molecular formula C18H17ClF3N9O2 and a molecular weight of 483.84 g/mol. Its IUPAC name is 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 11755063
• Molecular Formula: C18H17ClF3N9O2
• Molecular Weight: 483.84 g/mol
• Exact Mass: 483.11
• IUPAC Name: 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: N[C@@H](CC(=O)N1CCn2c(nc(C(=O)Nc3nn[nH]n3)c2Cl)C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C18H17ClF3N9O2/c19-16-15(17(33)25-18-26-28-29-27-18)24-13-7-30(1-2-31(13)16)14(32)5-9(23)3-8-4-11(21)12(22)6-10(8)20/h4,6,9H,1-3,5,7,23H2,(H2,25,26,27,28,29,33)/t9-/m1/s1
• InChIKey: IMDVUCFMMJHTIY-SECBINFHSA-N
• XLogP: 1.02
• TPSA: 147.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.84
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 11755063) is 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is N[C@@H](CC(=O)N1CCn2c(nc(C(=O)Nc3nn[nH]n3)c2Cl)C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is IMDVUCFMMJHTIY-SECBINFHSA-N. The full InChI is InChI=1S/C18H17ClF3N9O2/c19-16-15(17(33)25-18-26-28-29-27-18)24-13-7-30(1-2-31(13)16)14(32)5-9(23)3-8-4-11(21)12(22)6-10(8)20/h4,6,9H,1-3,5,7,23H2,(H2,25,26,27,28,29,33)/t9-/m1/s1.

What are the key properties of 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 483.84 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-chloro-N-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 11755063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).