N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

C20H25N5O3 — CID 30434109

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)o1
InChIInChI=1S/C20H25N5O3/c1-10(2)17-8-15(16-9-21-25(11(3)4)18(16)22-17)20(27)24-23-19(26)14-7-12(5)28-13(14)6/h7-11H,1-6H3,(H,23,26)(H,24,27)
InChIKeyDQFJFYNZDUUBOQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.42
Rot. Bonds4

About N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 30434109) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID30434109
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)o1
InChIInChI=1S/C20H25N5O3/c1-10(2)17-8-15(16-9-21-25(11(3)4)18(16)22-17)20(27)24-23-19(26)14-7-12(5)28-13(14)6/h7-11H,1-6H3,(H,23,26)(H,24,27)
InChIKeyDQFJFYNZDUUBOQ-UHFFFAOYSA-N
XLogP3.42
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.42
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-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31957554
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 30434109) is N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is DQFJFYNZDUUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-10(2)17-8-15(16-9-21-25(11(3)4)18(16)22-17)20(27)24-23-19(26)14-7-12(5)28-13(14)6/h7-11H,1-6H3,(H,23,26)(H,24,27).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 383.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 30434109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).