(6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C20H19BrN4O2 — CID 99745232

About (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

(6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 99745232) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 99745232
• Molecular Formula: C20H19BrN4O2
• Molecular Weight: 427.30 g/mol
• Exact Mass: 426.07
• IUPAC Name: (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• SMILES: O=C(NCCc1cccnc1)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2
• InChI: InChI=1S/C20H19BrN4O2/c21-16-5-3-15(4-6-16)19-12-25-17(13-27-19)10-18(24-25)20(26)23-9-7-14-2-1-8-22-11-14/h1-6,8,10-11,19H,7,9,12-13H2,(H,23,26)/t19-/m0/s1
• InChIKey: QZWNSNRXSKQJJV-IBGZPJMESA-N
• XLogP: 3.28
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.30
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The IUPAC name of (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 99745232) is (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

What is the SMILES notation for (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The canonical SMILES for (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(NCCc1cccnc1)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2.

What is the InChIKey of (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The InChIKey is QZWNSNRXSKQJJV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-16-5-3-15(4-6-16)19-12-25-17(13-27-19)10-18(24-25)20(26)23-9-7-14-2-1-8-22-11-14/h1-6,8,10-11,19H,7,9,12-13H2,(H,23,26)/t19-/m0/s1.

What are the key properties of (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

(6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 99745232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).