N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C22H21N5O4 — CID 35186541

IUPACN'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H21N5O4/c1-4-30-15-9-7-14(8-10-15)21(28)24-25-22(29)16-12-17(18-6-5-11-31-18)23-20-19(16)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,24,28)(H,25,29)
InChIKeySCVHXWWYZJGTRA-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.01
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 35186541) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID35186541
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H21N5O4/c1-4-30-15-9-7-14(8-10-15)21(28)24-25-22(29)16-12-17(18-6-5-11-31-18)23-20-19(16)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,24,28)(H,25,29)
InChIKeySCVHXWWYZJGTRA-UHFFFAOYSA-N
XLogP3.01
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621919
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[2,6-di(propan-2-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620877
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55661429
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 35186695
N-[3-(diethylsulfamoyl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620962
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822827

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 35186541) is N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is SCVHXWWYZJGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-4-30-15-9-7-14(8-10-15)21(28)24-25-22(29)16-12-17(18-6-5-11-31-18)23-20-19(16)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 419.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 35186541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).