N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C25H27N5O4S — CID 46690531

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C25H27N5O4S/c1-6-34-20-9-8-16(11-21(20)33-5)24(31)28-29-25(32)17-12-19(22-10-7-15(4)35-22)27-23-18(17)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyYBKQAXFBTKZLSN-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.53
Rot. Bonds7

About N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 46690531) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID46690531
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C25H27N5O4S/c1-6-34-20-9-8-16(11-21(20)33-5)24(31)28-29-25(32)17-12-19(22-10-7-15(4)35-22)27-23-18(17)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyYBKQAXFBTKZLSN-UHFFFAOYSA-N
XLogP4.53
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46687483
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46577426
N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46690184
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46688902
N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55886856
N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46690705
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46524468
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37392918
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610678

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 46690531) is N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is YBKQAXFBTKZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-6-34-20-9-8-16(11-21(20)33-5)24(31)28-29-25(32)17-12-19(22-10-7-15(4)35-22)27-23-18(17)13-26-30(23)14(2)3/h7-14H,6H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 493.59 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 46690531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).