5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

C28H33N5O3 — CID 10345355

IUPAC5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(NNC(=O)c2ccc(Oc3ccc4c(c3)C(C)(C)CCC4(C)C)o2)nc2c1c(C)nn2C
InChIInChI=1S/C28H33N5O3/c1-16-14-22(29-25-24(16)17(2)32-33(25)7)30-31-26(34)21-10-11-23(36-21)35-18-8-9-19-20(15-18)28(5,6)13-12-27(19,3)4/h8-11,14-15H,12-13H2,1-7H3,(H,29,30)(H,31,34)
InChIKeyYORFHTZTNCMNIA-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.08
Rot. Bonds5

About 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (PubChem CID 10345355) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
PubChem CID10345355
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(NNC(=O)c2ccc(Oc3ccc4c(c3)C(C)(C)CCC4(C)C)o2)nc2c1c(C)nn2C
InChIInChI=1S/C28H33N5O3/c1-16-14-22(29-25-24(16)17(2)32-33(25)7)30-31-26(34)21-10-11-23(36-21)35-18-8-9-19-20(15-18)28(5,6)13-12-27(19,3)4/h8-11,14-15H,12-13H2,1-7H3,(H,29,30)(H,31,34)
InChIKeyYORFHTZTNCMNIA-UHFFFAOYSA-N
XLogP6.08
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The IUPAC name of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (CID 10345355) is 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is Cc1cc(NNC(=O)c2ccc(Oc3ccc4c(c3)C(C)(C)CCC4(C)C)o2)nc2c1c(C)nn2C.
What is the InChIKey of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The InChIKey is YORFHTZTNCMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-16-14-22(29-25-24(16)17(2)32-33(25)7)30-31-26(34)21-10-11-23(36-21)35-18-8-9-19-20(15-18)28(5,6)13-12-27(19,3)4/h8-11,14-15H,12-13H2,1-7H3,(H,29,30)(H,31,34).
What are the key properties of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide has a molecular weight of 487.60 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is sourced from PubChem (CID 10345355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).