3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C26H32N8O4 — CID 121365399

About 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121365399) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
• PubChem CID: 121365399
• Molecular Formula: C26H32N8O4
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.25
• IUPAC Name: 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
• SMILES: CN1CCN(c2nn(C3CCOCC3)c3c2CN(C(=O)O)CC3)c2cc(/C=N\O)c(-c3cnn(C)c3)cc21
• InChI: InChI=1S/C26H32N8O4/c1-30-7-8-33(24-11-17(14-28-37)20(12-23(24)30)18-13-27-31(2)15-18)25-21-16-32(26(35)36)6-3-22(21)34(29-25)19-4-9-38-10-5-19/h11-15,19,37H,3-10,16H2,1-2H3,(H,35,36)/b28-14-
• InChIKey: HXDCVURTBSKQQY-MUXKCCDJSA-N
• XLogP: 3.07
• TPSA: 124.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The IUPAC name of 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121365399) is 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

What is the SMILES notation for 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The canonical SMILES for 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is CN1CCN(c2nn(C3CCOCC3)c3c2CN(C(=O)O)CC3)c2cc(/C=N\O)c(-c3cnn(C)c3)cc21.

What is the InChIKey of 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The InChIKey is HXDCVURTBSKQQY-MUXKCCDJSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-30-7-8-33(24-11-17(14-28-37)20(12-23(24)30)18-13-27-31(2)15-18)25-21-16-32(26(35)36)6-3-22(21)34(29-25)19-4-9-38-10-5-19/h11-15,19,37H,3-10,16H2,1-2H3,(H,35,36)/b28-14-.

What are the key properties of 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 520.59 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121365399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).