6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C25H27N5O5 — CID 46687483

IUPAC6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1OC(C)C
InChIInChI=1S/C25H27N5O5/c1-14(2)30-23-18(13-26-30)17(12-19(27-23)20-7-6-10-34-20)25(32)29-28-24(31)16-8-9-21(35-15(3)4)22(11-16)33-5/h6-15H,1-5H3,(H,28,31)(H,29,32)
InChIKeyNJWSYMGOMBMBEJ-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.14
Rot. Bonds7

About 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 46687483) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID46687483
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1OC(C)C
InChIInChI=1S/C25H27N5O5/c1-14(2)30-23-18(13-26-30)17(12-19(27-23)20-7-6-10-34-20)25(32)29-28-24(31)16-8-9-21(35-15(3)4)22(11-16)33-5/h6-15H,1-5H3,(H,28,31)(H,29,32)
InChIKeyNJWSYMGOMBMBEJ-UHFFFAOYSA-N
XLogP4.14
TPSA120.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 46687483) is 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1OC(C)C.
What is the InChIKey of 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is NJWSYMGOMBMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-14(2)30-23-18(13-26-30)17(12-19(27-23)20-7-6-10-34-20)25(32)29-28-24(31)16-8-9-21(35-15(3)4)22(11-16)33-5/h6-15H,1-5H3,(H,28,31)(H,29,32).
What are the key properties of 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 477.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 46687483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).