4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

C15H20N4O — CID 25105785

IUPAC4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(NC3CCCCC3)c(C=O)cnc21
InChIInChI=1S/C15H20N4O/c1-2-19-15-13(9-17-19)14(11(10-20)8-16-15)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18)
InChIKeyCNVLMDFXPQEMJS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.01
Rot. Bonds4

About 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 25105785) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID25105785
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(NC3CCCCC3)c(C=O)cnc21
InChIInChI=1S/C15H20N4O/c1-2-19-15-13(9-17-19)14(11(10-20)8-16-15)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18)
InChIKeyCNVLMDFXPQEMJS-UHFFFAOYSA-N
XLogP3.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.01
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-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 123229552
4-(cyclohexylamino)-1-(3-oxopropyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 89263478
N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 90704360
N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
CID 86636867
1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 163547550
N-cyclohexyl-1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732523
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247480
2-[2-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethanesulfinic acid
CID 70343703
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-N,5-N'-diethyl-4H-1,2-oxazole-5,5-dicarboxamide
CID 67220794
4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247536
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 25105785) is 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is CCn1ncc2c(NC3CCCCC3)c(C=O)cnc21.
What is the InChIKey of 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is CNVLMDFXPQEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19-15-13(9-17-19)14(11(10-20)8-16-15)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18).
What are the key properties of 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 25105785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).