ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate

C18H16N6O2S — CID 90287809

IUPACethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C18H16N6O2S/c1-3-26-17(25)15-9-20-18(27-15)23-16-5-4-13-14(22-16)6-11(7-19-13)12-8-21-24(2)10-12/h4-10H,3H2,1-2H3,(H,20,22,23)
InChIKeySLHQISJNHUCSFR-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate

ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 90287809) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
PubChem CID90287809
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Nameethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C18H16N6O2S/c1-3-26-17(25)15-9-20-18(27-15)23-16-5-4-13-14(22-16)6-11(7-19-13)12-8-21-24(2)10-12/h4-10H,3H2,1-2H3,(H,20,22,23)
InChIKeySLHQISJNHUCSFR-UHFFFAOYSA-N
XLogP3.41
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate (CID 90287809) is ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1.
What is the InChIKey of ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is SLHQISJNHUCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-3-26-17(25)15-9-20-18(27-15)23-16-5-4-13-14(22-16)6-11(7-19-13)12-8-21-24(2)10-12/h4-10H,3H2,1-2H3,(H,20,22,23).
What are the key properties of ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 380.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90287809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).