N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

C20H20FN5O3 — CID 53250004

About N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 53250004) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
• PubChem CID: 53250004
• Molecular Formula: C20H20FN5O3
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
• SMILES: COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC4=C3CCC4)c2)cn1
• InChI: InChI=1S/C20H20FN5O3/c1-20(12-4-3-5-16(12)29-19(22)26-20)13-8-11(6-7-14(13)21)25-18(27)15-9-24-17(28-2)10-23-15/h6-10H,3-5H2,1-2H3,(H2,22,26)(H,25,27)/t20-/m0/s1
• InChIKey: GAHFBGXVHBYDQA-FQEVSTJZSA-N
• XLogP: 2.87
• TPSA: 111.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?

The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide (CID 53250004) is N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?

The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC4=C3CCC4)c2)cn1.

What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?

The InChIKey is GAHFBGXVHBYDQA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-20(12-4-3-5-16(12)29-19(22)26-20)13-8-11(6-7-14(13)21)25-18(27)15-9-24-17(28-2)10-23-15/h6-10H,3-5H2,1-2H3,(H2,22,26)(H,25,27)/t20-/m0/s1.

What are the key properties of N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?

N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 53250004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).