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

C21H19N5O2S — CID 136793941

IUPAC(4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccnc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-3-28-14-6-7-16-17(9-14)29-21(23-16)26-20-19(12(2)25-26)15(10-18(27)24-20)13-5-4-8-22-11-13/h4-9,11,15H,3,10H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyVKTZJMPDLGNFDD-HNNXBMFYSA-N
MW405.48 g/mol
LogP4.06
Rot. Bonds4

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

(4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136793941) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136793941
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name(4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccnc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-3-28-14-6-7-16-17(9-14)29-21(23-16)26-20-19(12(2)25-26)15(10-18(27)24-20)13-5-4-8-22-11-13/h4-9,11,15H,3,10H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyVKTZJMPDLGNFDD-HNNXBMFYSA-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 (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793769
(4R)-4-(2,6-dichlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136716335
(4S)-4-(3,4-diethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758620
(4S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758665
(4S)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758550
(4R)-4-(5-bromo-2-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793759
(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793859
(4R)-4-(3-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793560
(4R)-4-(2-ethoxy-3-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758578
(4S)-4-(3-cyclopentyloxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758669
2-[4-[(4S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136758637
(4R)-1-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909642

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136793941) is (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccnc3)sc2c1.
What is the InChIKey of (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VKTZJMPDLGNFDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-3-28-14-6-7-16-17(9-14)29-21(23-16)26-20-19(12(2)25-26)15(10-18(27)24-20)13-5-4-8-22-11-13/h4-9,11,15H,3,10H2,1-2H3,(H,24,27)/t15-/m0/s1.
What are the key properties of (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-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 (4S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136793941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).