6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C24H23FN8O3 — CID 169232801

About 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 169232801) has the molecular formula C24H23FN8O3 and a molecular weight of 490.50 g/mol. Its IUPAC name is 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 169232801
• Molecular Formula: C24H23FN8O3
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.19
• IUPAC Name: 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(F)C(=O)N1CCN(c2cc3cnc(Nc4cnn(CCO)c4)nc3n(C)c2=O)c2ccccc21
• InChI: InChI=1S/C24H23FN8O3/c1-15(25)22(35)33-8-7-32(18-5-3-4-6-19(18)33)20-11-16-12-26-24(29-21(16)30(2)23(20)36)28-17-13-27-31(14-17)9-10-34/h3-6,11-14,34H,1,7-10H2,2H3,(H,26,28,29)
• InChIKey: GPKJVZMXQHQSHM-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 121.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 169232801) is 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is C=C(F)C(=O)N1CCN(c2cc3cnc(Nc4cnn(CCO)c4)nc3n(C)c2=O)c2ccccc21.

What is the InChIKey of 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GPKJVZMXQHQSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O3/c1-15(25)22(35)33-8-7-32(18-5-3-4-6-19(18)33)20-11-16-12-26-24(29-21(16)30(2)23(20)36)28-17-13-27-31(14-17)9-10-34/h3-6,11-14,34H,1,7-10H2,2H3,(H,26,28,29).

What are the key properties of 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?

6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.50 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169232801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).