4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

C12H14N4O — CID 87248039

IUPAC4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CC3)c12
InChIInChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyCDRHNHQMGFPYTA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 87248039) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID87248039
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CC3)c12
InChIInChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyCDRHNHQMGFPYTA-UHFFFAOYSA-N
XLogP1.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87129295
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 87129251
1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114546940
N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 57464174
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937633
N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 90818486
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 103439052
methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 67046154
ethyl 1,3-dimethyl-4-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133457787

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 87248039) is 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is Cc1nn(C)c2ncc(C=O)c(NC3CC3)c12.
What is the InChIKey of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is CDRHNHQMGFPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 87248039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).