N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

C13H17N5O2 — CID 43067938

IUPACN'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C13H17N5O2/c1-7(2)18-12-10(6-14-18)5-11(8(3)15-12)13(20)17-16-9(4)19/h5-7H,1-4H3,(H,16,19)(H,17,20)
InChIKeyCYLVOCUFQAHEIE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.10
Rot. Bonds2

About N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 43067938) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID43067938
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C13H17N5O2/c1-7(2)18-12-10(6-14-18)5-11(8(3)15-12)13(20)17-16-9(4)19/h5-7H,1-4H3,(H,16,19)(H,17,20)
InChIKeyCYLVOCUFQAHEIE-UHFFFAOYSA-N
XLogP1.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484239
6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 134031476
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78853012
6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55538272
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 35803935
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 43067938) is N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is CC(=O)NNC(=O)c1cc2cnn(C(C)C)c2nc1C.
What is the InChIKey of N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is CYLVOCUFQAHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7(2)18-12-10(6-14-18)5-11(8(3)15-12)13(20)17-16-9(4)19/h5-7H,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 43067938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).