7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C23H28FN7O — CID 146203333

About 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146203333) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• PubChem CID: 146203333
• Molecular Formula: C23H28FN7O
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.23
• IUPAC Name: 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• SMILES: Cc1cc(F)ncc1Cn1cc(CNc2cc3c(c(C)n2)NC(=O)C(C(C)C)N3C)cn1
• InChI: InChI=1S/C23H28FN7O/c1-13(2)22-23(32)29-21-15(4)28-20(7-18(21)30(22)5)26-8-16-9-27-31(11-16)12-17-10-25-19(24)6-14(17)3/h6-7,9-11,13,22H,8,12H2,1-5H3,(H,26,28)(H,29,32)
• InChIKey: JYUAZXUCFIBGHG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The IUPAC name of 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146203333) is 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

What is the SMILES notation for 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The canonical SMILES for 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1cc(F)ncc1Cn1cc(CNc2cc3c(c(C)n2)NC(=O)C(C(C)C)N3C)cn1.

What is the InChIKey of 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The InChIKey is JYUAZXUCFIBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-13(2)22-23(32)29-21-15(4)28-20(7-18(21)30(22)5)26-8-16-9-27-31(11-16)12-17-10-25-19(24)6-14(17)3/h6-7,9-11,13,22H,8,12H2,1-5H3,(H,26,28)(H,29,32).

What are the key properties of 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 437.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146203333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).