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

C18H20N4OS — CID 169415542

IUPAC4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCC(CC)n1ncc2c1NC(=O)CC2c1cccc2ncsc12
InChIInChI=1S/C18H20N4OS/c1-3-11(4-2)22-18-14(9-20-22)13(8-16(23)21-18)12-6-5-7-15-17(12)24-10-19-15/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,21,23)
InChIKeyXFSBISNRVBNLLW-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.33
Rot. Bonds4

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

4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169415542) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169415542
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCC(CC)n1ncc2c1NC(=O)CC2c1cccc2ncsc12
InChIInChI=1S/C18H20N4OS/c1-3-11(4-2)22-18-14(9-20-22)13(8-16(23)21-18)12-6-5-7-15-17(12)24-10-19-15/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,21,23)
InChIKeyXFSBISNRVBNLLW-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
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
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011
methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136820562
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071
(4S)-1-propan-2-yl-4-(4-prop-2-ynoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826075
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
(4S)-1-(1,3-benzothiazol-2-yl)-4-(3-methoxy-2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909420

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169415542) is 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCC(CC)n1ncc2c1NC(=O)CC2c1cccc2ncsc12.
What is the InChIKey of 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XFSBISNRVBNLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-11(4-2)22-18-14(9-20-22)13(8-16(23)21-18)12-6-5-7-15-17(12)24-10-19-15/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,21,23).
What are the key properties of 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 340.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169415542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).