1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol

C24H27N7O — CID 139393750

About 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol

1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol (PubChem CID 139393750) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol
• PubChem CID: 139393750
• Molecular Formula: C24H27N7O
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.23
• IUPAC Name: 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol
• SMILES: CC(O)N1c2ccc(-c3cnn(C4CC4)c3)cc2N(c2nn(C)c3cnccc23)C[C@@H]1C
• InChI: InChI=1S/C24H27N7O/c1-15-13-29(24-20-8-9-25-12-23(20)28(3)27-24)22-10-17(4-7-21(22)31(15)16(2)32)18-11-26-30(14-18)19-5-6-19/h4,7-12,14-16,19,32H,5-6,13H2,1-3H3/t15-,16?/m0/s1
• InChIKey: GQWYDFADITUZCV-VYRBHSGPSA-N
• XLogP: 3.85
• TPSA: 75.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol?

The IUPAC name of 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol (CID 139393750) is 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol.

What is the SMILES notation for 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol?

The canonical SMILES for 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol is CC(O)N1c2ccc(-c3cnn(C4CC4)c3)cc2N(c2nn(C)c3cnccc23)C[C@@H]1C.

What is the InChIKey of 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol?

The InChIKey is GQWYDFADITUZCV-VYRBHSGPSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-13-29(24-20-8-9-25-12-23(20)28(3)27-24)22-10-17(4-7-21(22)31(15)16(2)32)18-11-26-30(14-18)19-5-6-19/h4,7-12,14-16,19,32H,5-6,13H2,1-3H3/t15-,16?/m0/s1.

What are the key properties of 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol?

1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol has a molecular weight of 429.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanol is sourced from PubChem (CID 139393750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).