2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

C20H23FN8O — CID 146195263

About 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 146195263) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
• PubChem CID: 146195263
• Molecular Formula: C20H23FN8O
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.20
• IUPAC Name: 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
• SMILES: Cc1cc(F)ncc1Cn1cc(CNc2nc(C)c3c(n2)N(C)C(C)C(=O)N3)cn1
• InChI: InChI=1S/C20H23FN8O/c1-11-5-16(21)22-8-15(11)10-29-9-14(7-24-29)6-23-20-25-12(2)17-18(27-20)28(4)13(3)19(30)26-17/h5,7-9,13H,6,10H2,1-4H3,(H,26,30)(H,23,25,27)
• InChIKey: YVKMYJSJYWGWIL-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?

The IUPAC name of 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 146195263) is 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

What is the SMILES notation for 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?

The canonical SMILES for 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1cc(F)ncc1Cn1cc(CNc2nc(C)c3c(n2)N(C)C(C)C(=O)N3)cn1.

What is the InChIKey of 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?

The InChIKey is YVKMYJSJYWGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O/c1-11-5-16(21)22-8-15(11)10-29-9-14(7-24-29)6-23-20-25-12(2)17-18(27-20)28(4)13(3)19(30)26-17/h5,7-9,13H,6,10H2,1-4H3,(H,26,30)(H,23,25,27).

What are the key properties of 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?

2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 410.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146195263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).