(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H19N5O2S — CID 136793942

IUPAC(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccncc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-3-28-14-4-5-16-17(10-14)29-21(23-16)26-20-19(12(2)25-26)15(11-18(27)24-20)13-6-8-22-9-7-13/h4-10,15H,3,11H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyNXSUXXUPXWXLDV-OAHLLOKOSA-N
MW405.48 g/mol
LogP4.06
Rot. Bonds4

About (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136793942) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136793942
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccncc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-3-28-14-4-5-16-17(10-14)29-21(23-16)26-20-19(12(2)25-26)15(11-18(27)24-20)13-6-8-22-9-7-13/h4-10,15H,3,11H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyNXSUXXUPXWXLDV-OAHLLOKOSA-N
XLogP4.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136793942) is (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccncc3)sc2c1.
What is the InChIKey of (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NXSUXXUPXWXLDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-3-28-14-4-5-16-17(10-14)29-21(23-16)26-20-19(12(2)25-26)15(11-18(27)24-20)13-6-8-22-9-7-13/h4-10,15H,3,11H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 405.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136793942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).