[2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate

C26H25BrN6O2 — CID 175468512

About [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate

[2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate (PubChem CID 175468512) has the molecular formula C26H25BrN6O2 and a molecular weight of 533.43 g/mol. Its IUPAC name is [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate.

Molecular Properties

• Compound Name: [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate
• PubChem CID: 175468512
• Molecular Formula: C26H25BrN6O2
• Molecular Weight: 533.43 g/mol
• Exact Mass: 532.12
• IUPAC Name: [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate
• SMILES: NC(=O)Oc1ccc2c(c1)CC(N1CCC(n3cc(-c4cnc5cccc(Br)c5n4)cn3)CC1)C2
• InChI: InChI=1S/C26H25BrN6O2/c27-22-2-1-3-23-25(22)31-24(14-29-23)18-13-30-33(15-18)19-6-8-32(9-7-19)20-10-16-4-5-21(35-26(28)34)12-17(16)11-20/h1-5,12-15,19-20H,6-11H2,(H2,28,34)
• InChIKey: GBQQZFBIAPWLNA-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 99.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.43
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate?

The IUPAC name of [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate (CID 175468512) is [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate.

What is the SMILES notation for [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate?

The canonical SMILES for [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate is NC(=O)Oc1ccc2c(c1)CC(N1CCC(n3cc(-c4cnc5cccc(Br)c5n4)cn3)CC1)C2.

What is the InChIKey of [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate?

The InChIKey is GBQQZFBIAPWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN6O2/c27-22-2-1-3-23-25(22)31-24(14-29-23)18-13-30-33(15-18)19-6-8-32(9-7-19)20-10-16-4-5-21(35-26(28)34)12-17(16)11-20/h1-5,12-15,19-20H,6-11H2,(H2,28,34).

What are the key properties of [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate?

[2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate has a molecular weight of 533.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate is sourced from PubChem (CID 175468512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).