[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate

C21H29N7O2Si — CID 90287905

IUPAC[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate
SMILES[H]/N=C(\O/C(C)=N/[H])N(COCC[Si](C)(C)C)c1ccc2ncc(-c3cnn(C)c3)cc2n1
InChIInChI=1S/C21H29N7O2Si/c1-15(22)30-21(23)28(14-29-8-9-31(3,4)5)20-7-6-18-19(26-20)10-16(11-24-18)17-12-25-27(2)13-17/h6-7,10-13,22-23H,8-9,14H2,1-5H3/b22-15+,23-21-
InChIKeyUXRHCWGVTOTCOX-BCCQSQKXSA-N
MW439.60 g/mol
LogP4.10
Rot. Bonds7

About [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate

[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate (PubChem CID 90287905) has the molecular formula C21H29N7O2Si and a molecular weight of 439.60 g/mol. Its IUPAC name is [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate.

Molecular Properties

Compound Name[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate
PubChem CID90287905
Molecular FormulaC21H29N7O2Si
Molecular Weight439.60 g/mol
Exact Mass439.22
IUPAC Name[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate
SMILES[H]/N=C(\O/C(C)=N/[H])N(COCC[Si](C)(C)C)c1ccc2ncc(-c3cnn(C)c3)cc2n1
InChIInChI=1S/C21H29N7O2Si/c1-15(22)30-21(23)28(14-29-8-9-31(3,4)5)20-7-6-18-19(26-20)10-16(11-24-18)17-12-25-27(2)13-17/h6-7,10-13,22-23H,8-9,14H2,1-5H3/b22-15+,23-21-
InChIKeyUXRHCWGVTOTCOX-BCCQSQKXSA-N
XLogP4.10
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate?
The IUPAC name of [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate (CID 90287905) is [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate.
What is the SMILES notation for [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate?
The canonical SMILES for [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate is [H]/N=C(\O/C(C)=N/[H])N(COCC[Si](C)(C)C)c1ccc2ncc(-c3cnn(C)c3)cc2n1.
What is the InChIKey of [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate?
The InChIKey is UXRHCWGVTOTCOX-BCCQSQKXSA-N. The full InChI is InChI=1S/C21H29N7O2Si/c1-15(22)30-21(23)28(14-29-8-9-31(3,4)5)20-7-6-18-19(26-20)10-16(11-24-18)17-12-25-27(2)13-17/h6-7,10-13,22-23H,8-9,14H2,1-5H3/b22-15+,23-21-.
What are the key properties of [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate?
[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate has a molecular weight of 439.60 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate is sourced from PubChem (CID 90287905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).