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

C17H19N5OS — CID 136737748

IUPAC(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1cccc2nsnc12
InChIInChI=1S/C17H19N5OS/c1-17(2,3)15-13-10(8-12(23)18-16(13)22(4)19-15)9-6-5-7-11-14(9)21-24-20-11/h5-7,10H,8H2,1-4H3,(H,18,23)/t10-/m1/s1
InChIKeyWNEWHWHXJWDZPM-SNVBAGLBSA-N
MW341.44 g/mol
LogP3.20
Rot. Bonds1

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

(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737748) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737748
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1cccc2nsnc12
InChIInChI=1S/C17H19N5OS/c1-17(2,3)15-13-10(8-12(23)18-16(13)22(4)19-15)9-6-5-7-11-14(9)21-24-20-11/h5-7,10H,8H2,1-4H3,(H,18,23)/t10-/m1/s1
InChIKeyWNEWHWHXJWDZPM-SNVBAGLBSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4S)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737749
3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171387890
(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136810369
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
(4S)-3-tert-butyl-1-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820500
3-tert-butyl-1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135987072
4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 135636472
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136698073
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
CID 95144264

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136737748) is (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1cccc2nsnc12.
What is the InChIKey of (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WNEWHWHXJWDZPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-17(2,3)15-13-10(8-12(23)18-16(13)22(4)19-15)9-6-5-7-11-14(9)21-24-20-11/h5-7,10H,8H2,1-4H3,(H,18,23)/t10-/m1/s1.
What are the key properties of (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 341.44 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).