N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide

C24H25FN10O2 — CID 170960773

About N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide

N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 170960773) has the molecular formula C24H25FN10O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 170960773
• Molecular Formula: C24H25FN10O2
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide
• SMILES: CCONC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1N(C)[C@@H](C)c1nc(C)nn1-2
• InChI: InChI=1S/C24H25FN10O2/c1-5-37-33-24(36)21-17(11-20(30-31-21)29-19-10-9-15(25)12-26-19)28-16-7-6-8-18-22(16)34(4)13(2)23-27-14(3)32-35(18)23/h6-13H,5H2,1-4H3,(H,33,36)(H2,26,28,29,30)/t13-/m0/s1
• InChIKey: JPVQTAFJMLROJQ-ZDUSSCGKSA-N
• XLogP: 3.58
• TPSA: 135.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide?

The IUPAC name of N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide (CID 170960773) is N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide?

The canonical SMILES for N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide is CCONC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1N(C)[C@@H](C)c1nc(C)nn1-2.

What is the InChIKey of N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide?

The InChIKey is JPVQTAFJMLROJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H25FN10O2/c1-5-37-33-24(36)21-17(11-20(30-31-21)29-19-10-9-15(25)12-26-19)28-16-7-6-8-18-22(16)34(4)13(2)23-27-14(3)32-35(18)23/h6-13H,5H2,1-4H3,(H,33,36)(H2,26,28,29,30)/t13-/m0/s1.

What are the key properties of N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide?

N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 504.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 170960773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).