N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H24N4O3S — CID 46532227

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)Cc3ccc(OC)c(OC)c3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H24N4O3S/c1-5-27-22-17(13-24-27)16(12-18(25-22)21-7-6-10-31-21)23(28)26(2)14-15-8-9-19(29-3)20(11-15)30-4/h6-13H,5,14H2,1-4H3
InChIKeyXTTSEODYANNZPY-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.47
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46532227) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46532227
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)Cc3ccc(OC)c(OC)c3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H24N4O3S/c1-5-27-22-17(13-24-27)16(12-18(25-22)21-7-6-10-31-21)23(28)26(2)14-15-8-9-19(29-3)20(11-15)30-4/h6-13H,5,14H2,1-4H3
InChIKeyXTTSEODYANNZPY-UHFFFAOYSA-N
XLogP4.47
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24641354
1-ethyl-6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18273145
N-(1-cyclopropylethyl)-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24688333
1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166184572
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35745108
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694047
methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-2-carboxylate
CID 30175101
1-ethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47063371
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914630
N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30175201
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693974

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46532227) is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(C)Cc3ccc(OC)c(OC)c3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XTTSEODYANNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-5-27-22-17(13-24-27)16(12-18(25-22)21-7-6-10-31-21)23(28)26(2)14-15-8-9-19(29-3)20(11-15)30-4/h6-13H,5,14H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46532227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).