(3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C26H28F3N3O5 — CID 145166273

About (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

(3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 145166273) has the molecular formula C26H28F3N3O5 and a molecular weight of 519.52 g/mol. Its IUPAC name is (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
• PubChem CID: 145166273
• Molecular Formula: C26H28F3N3O5
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.20
• IUPAC Name: (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
• SMILES: C=CC[C@H]1C(CCOC)n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(OC)c2C(=O)N1CC=C
• InChI: InChI=1S/C26H28F3N3O5/c1-5-7-20-21(8-10-36-3)32-14-17(23(33)24(37-4)22(32)26(35)31(20)9-6-2)25(34)30-13-16-18(28)11-15(27)12-19(16)29/h5-6,11-12,14,20-21H,1-2,7-10,13H2,3-4H3,(H,30,34)/t20-,21?/m0/s1
• InChIKey: YHVOMFZYTKUMSB-BGERDNNASA-N
• XLogP: 3.37
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The IUPAC name of (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 145166273) is (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

What is the SMILES notation for (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The canonical SMILES for (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is C=CC[C@H]1C(CCOC)n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(OC)c2C(=O)N1CC=C.

What is the InChIKey of (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The InChIKey is YHVOMFZYTKUMSB-BGERDNNASA-N. The full InChI is InChI=1S/C26H28F3N3O5/c1-5-7-20-21(8-10-36-3)32-14-17(23(33)24(37-4)22(32)26(35)31(20)9-6-2)25(34)30-13-16-18(28)11-15(27)12-19(16)29/h5-6,11-12,14,20-21H,1-2,7-10,13H2,3-4H3,(H,30,34)/t20-,21?/m0/s1.

What are the key properties of (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

(3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 519.52 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-9-methoxy-4-(2-methoxyethyl)-1,8-dioxo-2,3-bis(prop-2-enyl)-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 145166273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).