1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide

C15H20N6O2 — CID 87790704

IUPAC1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(=NO)CC3)c(C(N)=O)cnc21
InChIInChI=1S/C15H20N6O2/c1-2-21-15-12(8-18-21)13(11(7-17-15)14(16)22)19-9-3-5-10(20-23)6-4-9/h7-9,23H,2-6H2,1H3,(H2,16,22)(H,17,19)/b20-10-
InChIKeyQAUYYTUBDXFEGV-JMIUGGIZSA-N
MW316.37 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 87790704) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID87790704
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(=NO)CC3)c(C(N)=O)cnc21
InChIInChI=1S/C15H20N6O2/c1-2-21-15-12(8-18-21)13(11(7-17-15)14(16)22)19-9-3-5-10(20-23)6-4-9/h7-9,23H,2-6H2,1H3,(H2,16,22)(H,17,19)/b20-10-
InChIKeyQAUYYTUBDXFEGV-JMIUGGIZSA-N
XLogP1.73
TPSA118.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87751041
N-[1-(2,4-dimethylphenyl)ethyl]-1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87751191
N-[1-(4-chloro-2-fluorophenyl)propyl]-1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87751067
N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
CID 86636867
1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 21320510
ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 68580193
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063
1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629470
4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol
CID 70311320

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 87790704) is 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCC(=NO)CC3)c(C(N)=O)cnc21.
What is the InChIKey of 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QAUYYTUBDXFEGV-JMIUGGIZSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-21-15-12(8-18-21)13(11(7-17-15)14(16)22)19-9-3-5-10(20-23)6-4-9/h7-9,23H,2-6H2,1H3,(H2,16,22)(H,17,19)/b20-10-.
What are the key properties of 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87790704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).