methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate

C16H14N4O2S — CID 167791173

IUPACmethyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)CCN(c1nc3cccnc3s1)C2
InChIInChI=1S/C16H14N4O2S/c1-22-15(21)11-7-10-4-6-20(9-13(10)18-8-11)16-19-12-3-2-5-17-14(12)23-16/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeySPZDIHVAUFNMPM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.44
Rot. Bonds2

About methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate

methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate (PubChem CID 167791173) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate
PubChem CID167791173
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Namemethyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)CCN(c1nc3cccnc3s1)C2
InChIInChI=1S/C16H14N4O2S/c1-22-15(21)11-7-10-4-6-20(9-13(10)18-8-11)16-19-12-3-2-5-17-14(12)23-16/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeySPZDIHVAUFNMPM-UHFFFAOYSA-N
XLogP2.44
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate (CID 167791173) is methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate is COC(=O)c1cnc2c(c1)CCN(c1nc3cccnc3s1)C2.
What is the InChIKey of methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate?
The InChIKey is SPZDIHVAUFNMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-15(21)11-7-10-4-6-20(9-13(10)18-8-11)16-19-12-3-2-5-17-14(12)23-16/h2-3,5,7-8H,4,6,9H2,1H3.
What are the key properties of methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate?
methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate has a molecular weight of 326.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 167791173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).