1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone

C31H21N5O3 — CID 45271936

About 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone

1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone (PubChem CID 45271936) has the molecular formula C31H21N5O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone.

Molecular Properties

• Compound Name: 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone
• PubChem CID: 45271936
• Molecular Formula: C31H21N5O3
• Molecular Weight: 511.54 g/mol
• Exact Mass: 511.16
• IUPAC Name: 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone
• SMILES: O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)CC1c1ccco1
• InChI: InChI=1S/C31H21N5O3/c37-29(18-35-24-12-5-2-9-20(24)30-31(35)33-22-11-4-3-10-21(22)32-30)36-25(27-14-7-15-38-27)17-23(34-36)28-16-19-8-1-6-13-26(19)39-28/h1-16,25H,17-18H2
• InChIKey: RWOCHYUTZDPIDH-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 89.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.54
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone?

The IUPAC name of 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone (CID 45271936) is 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone.

What is the SMILES notation for 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone?

The canonical SMILES for 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone is O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)CC1c1ccco1.

What is the InChIKey of 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone?

The InChIKey is RWOCHYUTZDPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O3/c37-29(18-35-24-12-5-2-9-20(24)30-31(35)33-22-11-4-3-10-21(22)32-30)36-25(27-14-7-15-38-27)17-23(34-36)28-16-19-8-1-6-13-26(19)39-28/h1-16,25H,17-18H2.

What are the key properties of 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone?

1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone has a molecular weight of 511.54 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone is sourced from PubChem (CID 45271936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).