6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C20H20ClN5O3 — CID 95897267

About 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95897267) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 95897267
• Molecular Formula: C20H20ClN5O3
• Molecular Weight: 413.87 g/mol
• Exact Mass: 413.13
• IUPAC Name: 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N[C@H](C)C(=O)NC)nc2c1=O
• InChI: InChI=1S/C20H20ClN5O3/c1-4-9-26-16(13-7-5-6-8-14(13)21)11-25-10-15(24-17(25)20(26)29)19(28)23-12(2)18(27)22-3/h4-8,10-12H,1,9H2,2-3H3,(H,22,27)(H,23,28)/t12-/m1/s1
• InChIKey: JXXBVOCZILMSOJ-GFCCVEGCSA-N
• XLogP: 1.87
• TPSA: 97.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.87
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
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 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 95897267) is 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N[C@H](C)C(=O)NC)nc2c1=O.

What is the InChIKey of 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is JXXBVOCZILMSOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c1-4-9-26-16(13-7-5-6-8-14(13)21)11-25-10-15(24-17(25)20(26)29)19(28)23-12(2)18(27)22-3/h4-8,10-12H,1,9H2,2-3H3,(H,22,27)(H,23,28)/t12-/m1/s1.

What are the key properties of 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?

6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95897267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).