1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C12H16N6O — CID 21320510

IUPAC1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NN=C(C)C)c(C(N)=O)cnc21
InChIInChI=1S/C12H16N6O/c1-4-18-12-9(6-15-18)10(17-16-7(2)3)8(5-14-12)11(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,17)
InChIKeyTUKHWGHLVZBFDZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.36
Rot. Bonds4

About 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 21320510) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID21320510
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NN=C(C)C)c(C(N)=O)cnc21
InChIInChI=1S/C12H16N6O/c1-4-18-12-9(6-15-18)10(17-16-7(2)3)8(5-14-12)11(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,17)
InChIKeyTUKHWGHLVZBFDZ-UHFFFAOYSA-N
XLogP1.36
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 21320510) is 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NN=C(C)C)c(C(N)=O)cnc21.
What is the InChIKey of 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TUKHWGHLVZBFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-4-18-12-9(6-15-18)10(17-16-7(2)3)8(5-14-12)11(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,17).
What are the key properties of 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 21320510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).