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

C22H23N5O3 — CID 22398224

IUPAC5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(O)ccc1Cc1ccc(C(=O)NNc2cc(C)c3c(C)nn(C)c3n2)o1
InChIInChI=1S/C22H23N5O3/c1-12-9-16(28)6-5-15(12)11-17-7-8-18(30-17)22(29)25-24-19-10-13(2)20-14(3)26-27(4)21(20)23-19/h5-10,28H,11H2,1-4H3,(H,23,24)(H,25,29)
InChIKeyXVPPXAVWMNBDEU-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.54
Rot. Bonds5

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

5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (PubChem CID 22398224) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
PubChem CID22398224
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(O)ccc1Cc1ccc(C(=O)NNc2cc(C)c3c(C)nn(C)c3n2)o1
InChIInChI=1S/C22H23N5O3/c1-12-9-16(28)6-5-15(12)11-17-7-8-18(30-17)22(29)25-24-19-10-13(2)20-14(3)26-27(4)21(20)23-19/h5-10,28H,11H2,1-4H3,(H,23,24)(H,25,29)
InChIKeyXVPPXAVWMNBDEU-UHFFFAOYSA-N
XLogP3.54
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The IUPAC name of 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (CID 22398224) is 5-[(4-hydroxy-2-methylphenyl)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-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is Cc1cc(O)ccc1Cc1ccc(C(=O)NNc2cc(C)c3c(C)nn(C)c3n2)o1.
What is the InChIKey of 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The InChIKey is XVPPXAVWMNBDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12-9-16(28)6-5-15(12)11-17-7-8-18(30-17)22(29)25-24-19-10-13(2)20-14(3)26-27(4)21(20)23-19/h5-10,28H,11H2,1-4H3,(H,23,24)(H,25,29).
What are the key properties of 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide has a molecular weight of 405.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2-methylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is sourced from PubChem (CID 22398224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).