6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde

C12H13N3O — CID 169178500

IUPAC6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde
SMILESCc1nn(C)c2nc(C3CC3)cc(C=O)c12
InChIInChI=1S/C12H13N3O/c1-7-11-9(6-16)5-10(8-3-4-8)13-12(11)15(2)14-7/h5-6,8H,3-4H2,1-2H3
InChIKeyKTMDAULZAXGFBC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.97
Rot. Bonds2

About 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde

6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde (PubChem CID 169178500) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde
PubChem CID169178500
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde
SMILESCc1nn(C)c2nc(C3CC3)cc(C=O)c12
InChIInChI=1S/C12H13N3O/c1-7-11-9(6-16)5-10(8-3-4-8)13-12(11)15(2)14-7/h5-6,8H,3-4H2,1-2H3
InChIKeyKTMDAULZAXGFBC-UHFFFAOYSA-N
XLogP1.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 19588392
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The IUPAC name of 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde (CID 169178500) is 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The canonical SMILES for 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde is Cc1nn(C)c2nc(C3CC3)cc(C=O)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The InChIKey is KTMDAULZAXGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-11-9(6-16)5-10(8-3-4-8)13-12(11)15(2)14-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde has a molecular weight of 215.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 169178500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).