N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

C20H23N5O3 — CID 35819941

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C20H23N5O3/c1-11-6-7-12(2)16(8-11)28-10-17(26)22-23-20(27)15-9-13(3)21-19-18(15)14(4)24-25(19)5/h6-9H,10H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyROGOMUFFWJYOIU-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.04
Rot. Bonds4

About N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (PubChem CID 35819941) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
PubChem CID35819941
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C20H23N5O3/c1-11-6-7-12(2)16(8-11)28-10-17(26)22-23-20(27)15-9-13(3)21-19-18(15)14(4)24-25(19)5/h6-9H,10H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyROGOMUFFWJYOIU-UHFFFAOYSA-N
XLogP2.04
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
CID 78880139
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 24627420
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 35803935
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
CID 55333176
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (CID 35819941) is N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The InChIKey is ROGOMUFFWJYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11-6-7-12(2)16(8-11)28-10-17(26)22-23-20(27)15-9-13(3)21-19-18(15)14(4)24-25(19)5/h6-9H,10H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide has a molecular weight of 381.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 35819941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).