1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

C24H25N7O — CID 123253117

About 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123253117) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
• PubChem CID: 123253117
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)cc2N(c2nn(C)c3cccnc23)CC1C
• InChI: InChI=1S/C24H25N7O/c1-15-13-29(24-23-21(28(3)27-24)5-4-10-25-23)22-11-17(6-9-20(22)31(15)16(2)32)18-12-26-30(14-18)19-7-8-19/h4-6,9-12,14-15,19H,7-8,13H2,1-3H3
• InChIKey: XALIKGZSBPCIMI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 72.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The IUPAC name of 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123253117) is 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

What is the SMILES notation for 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The canonical SMILES for 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)cc2N(c2nn(C)c3cccnc23)CC1C.

What is the InChIKey of 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The InChIKey is XALIKGZSBPCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15-13-29(24-23-21(28(3)27-24)5-4-10-25-23)22-11-17(6-9-20(22)31(15)16(2)32)18-12-26-30(14-18)19-7-8-19/h4-6,9-12,14-15,19H,7-8,13H2,1-3H3.

What are the key properties of 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123253117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).