N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21N5O2S2 — CID 55545715

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1nc2ccccc2s1
InChIInChI=1S/C23H21N5O2S2/c1-14-20-15(13-17(18-9-6-12-31-18)24-21(20)27(2)26-14)22(29)28(10-11-30-3)23-25-16-7-4-5-8-19(16)32-23/h4-9,12-13H,10-11H2,1-3H3
InChIKeyWVJKRHMHIIVYCP-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.91
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55545715) has the molecular formula C23H21N5O2S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55545715
Molecular FormulaC23H21N5O2S2
Molecular Weight463.59 g/mol
Exact Mass463.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1nc2ccccc2s1
InChIInChI=1S/C23H21N5O2S2/c1-14-20-15(13-17(18-9-6-12-31-18)24-21(20)27(2)26-14)22(29)28(10-11-30-3)23-25-16-7-4-5-8-19(16)32-23/h4-9,12-13H,10-11H2,1-3H3
InChIKeyWVJKRHMHIIVYCP-UHFFFAOYSA-N
XLogP4.91
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78846151
N,1,3-trimethyl-N-(2-phenoxyethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522947
1,3-dimethyl-N-phenyl-N-prop-2-enyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55551064
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
3-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]propanoic acid
CID 120516645
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702259
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
phenacyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509925
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
CID 34264564

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55545715) is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WVJKRHMHIIVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S2/c1-14-20-15(13-17(18-9-6-12-31-18)24-21(20)27(2)26-14)22(29)28(10-11-30-3)23-25-16-7-4-5-8-19(16)32-23/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55545715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).