cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

C19H23N5O2 — CID 97484516

About cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 97484516) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
• PubChem CID: 97484516
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
• SMILES: Cc1ccnc(OC[C@@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1
• InChI: InChI=1S/C19H23N5O2/c1-14-6-7-21-19(22-14)26-12-15-9-23(18(25)16-4-2-3-5-16)11-17-8-20-13-24(17)10-15/h2-3,6-8,13,15-16H,4-5,9-12H2,1H3/t15-/m1/s1
• InChIKey: OKMVQGDJDJCCKH-OAHLLOKOSA-N
• XLogP: 1.99
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
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 cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?

The IUPAC name of cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 97484516) is cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

What is the SMILES notation for cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?

The canonical SMILES for cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is Cc1ccnc(OC[C@@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1.

What is the InChIKey of cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?

The InChIKey is OKMVQGDJDJCCKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-6-7-21-19(22-14)26-12-15-9-23(18(25)16-4-2-3-5-16)11-17-8-20-13-24(17)10-15/h2-3,6-8,13,15-16H,4-5,9-12H2,1H3/t15-/m1/s1.

What are the key properties of cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?

cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 97484516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).