5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

C23H25N5O5 — CID 20795900

IUPAC5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCOc1cc(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c(OC)cc1O
InChIInChI=1S/C23H25N5O5/c1-12-8-20(24-22-21(12)13(2)27-28(22)3)25-26-23(30)17-7-6-15(33-17)9-14-10-19(32-5)16(29)11-18(14)31-4/h6-8,10-11,29H,9H2,1-5H3,(H,24,25)(H,26,30)
InChIKeySIUGLVLFEPYUGD-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.25
Rot. Bonds7

About 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (PubChem CID 20795900) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
PubChem CID20795900
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCOc1cc(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c(OC)cc1O
InChIInChI=1S/C23H25N5O5/c1-12-8-20(24-22-21(12)13(2)27-28(22)3)25-26-23(30)17-7-6-15(33-17)9-14-10-19(32-5)16(29)11-18(14)31-4/h6-8,10-11,29H,9H2,1-5H3,(H,24,25)(H,26,30)
InChIKeySIUGLVLFEPYUGD-UHFFFAOYSA-N
XLogP3.25
TPSA123.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The IUPAC name of 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (CID 20795900) is 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is COc1cc(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c(OC)cc1O.
What is the InChIKey of 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The InChIKey is SIUGLVLFEPYUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-12-8-20(24-22-21(12)13(2)27-28(22)3)25-26-23(30)17-7-6-15(33-17)9-14-10-19(32-5)16(29)11-18(14)31-4/h6-8,10-11,29H,9H2,1-5H3,(H,24,25)(H,26,30).
What are the key properties of 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide has a molecular weight of 451.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2,5-dimethoxyphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is sourced from PubChem (CID 20795900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).