[4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C23H27N5O4 — CID 166756797

About [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 166756797) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• PubChem CID: 166756797
• Molecular Formula: C23H27N5O4
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.21
• IUPAC Name: [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• SMILES: COCCOc1ccnc2c1CCN(C(=O)c1c(C)oc3ncnc(NC4(C)CC4)c13)C2
• InChI: InChI=1S/C23H27N5O4/c1-14-18(19-20(27-23(2)6-7-23)25-13-26-21(19)32-14)22(29)28-9-5-15-16(12-28)24-8-4-17(15)31-11-10-30-3/h4,8,13H,5-7,9-12H2,1-3H3,(H,25,26,27)
• InChIKey: RKZFQCBLNHOMLR-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 102.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The IUPAC name of [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 166756797) is [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The canonical SMILES for [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is COCCOc1ccnc2c1CCN(C(=O)c1c(C)oc3ncnc(NC4(C)CC4)c13)C2.

What is the InChIKey of [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The InChIKey is RKZFQCBLNHOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14-18(19-20(27-23(2)6-7-23)25-13-26-21(19)32-14)22(29)28-9-5-15-16(12-28)24-8-4-17(15)31-11-10-30-3/h4,8,13H,5-7,9-12H2,1-3H3,(H,25,26,27).

What are the key properties of [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

[4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 437.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 166756797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).