furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

C17H22N4O2 — CID 97462802

About furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (PubChem CID 97462802) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
• PubChem CID: 97462802
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
• SMILES: O=C(c1ccoc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1
• InChI: InChI=1S/C17H22N4O2/c22-17(15-3-8-23-13-15)21-11-14(9-19-5-1-2-6-19)10-20-7-4-18-16(20)12-21/h3-4,7-8,13-14H,1-2,5-6,9-12H2/t14-/m1/s1
• InChIKey: ZCBONVCLLWXVKW-CQSZACIVSA-N
• XLogP: 1.84
• TPSA: 54.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?

The IUPAC name of furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (CID 97462802) is furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

What is the SMILES notation for furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?

The canonical SMILES for furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is O=C(c1ccoc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1.

What is the InChIKey of furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?

The InChIKey is ZCBONVCLLWXVKW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(15-3-8-23-13-15)21-11-14(9-19-5-1-2-6-19)10-20-7-4-18-16(20)12-21/h3-4,7-8,13-14H,1-2,5-6,9-12H2/t14-/m1/s1.

What are the key properties of furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?

furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 97462802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).