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

C20H16N4O2S — CID 135893128

IUPAC1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C20H16N4O2S/c1-11-18-14(12-6-8-13(25)9-7-12)10-17(26)22-19(18)24(23-11)20-21-15-4-2-3-5-16(15)27-20/h2-9,14,25H,10H2,1H3,(H,22,26)
InChIKeySARUOKUEKIJKGY-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.97
Rot. Bonds2

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

1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135893128) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135893128
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C20H16N4O2S/c1-11-18-14(12-6-8-13(25)9-7-12)10-17(26)22-19(18)24(23-11)20-21-15-4-2-3-5-16(15)27-20/h2-9,14,25H,10H2,1H3,(H,22,26)
InChIKeySARUOKUEKIJKGY-UHFFFAOYSA-N
XLogP3.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135893128) is 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(O)cc1)CC(=O)N2.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SARUOKUEKIJKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-11-18-14(12-6-8-13(25)9-7-12)10-17(26)22-19(18)24(23-11)20-21-15-4-2-3-5-16(15)27-20/h2-9,14,25H,10H2,1H3,(H,22,26).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 376.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135893128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).