4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol

C18H26N4O2 — CID 70311320

IUPAC4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol
SMILESC=C(OCC)c1cnc2c(cnn2CC)c1NC1CCC(O)CC1
InChIInChI=1S/C18H26N4O2/c1-4-22-18-16(11-20-22)17(15(10-19-18)12(3)24-5-2)21-13-6-8-14(23)9-7-13/h10-11,13-14,23H,3-9H2,1-2H3,(H,19,21)
InChIKeyQJOKLSSIXDTUTM-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.17
Rot. Bonds6

About 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol

4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol (PubChem CID 70311320) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol
PubChem CID70311320
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol
SMILESC=C(OCC)c1cnc2c(cnn2CC)c1NC1CCC(O)CC1
InChIInChI=1S/C18H26N4O2/c1-4-22-18-16(11-20-22)17(15(10-19-18)12(3)24-5-2)21-13-6-8-14(23)9-7-13/h10-11,13-14,23H,3-9H2,1-2H3,(H,19,21)
InChIKeyQJOKLSSIXDTUTM-UHFFFAOYSA-N
XLogP3.17
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 68580193
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87790704
N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
CID 86636867
N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
ethanimidoyl 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboximidate
CID 70343675
4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 123229552
1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69012415
2-[2-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethanesulfinic acid
CID 70343703
1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629470
4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247796
4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 25105785

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol (CID 70311320) is 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol is C=C(OCC)c1cnc2c(cnn2CC)c1NC1CCC(O)CC1.
What is the InChIKey of 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QJOKLSSIXDTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22-18-16(11-20-22)17(15(10-19-18)12(3)24-5-2)21-13-6-8-14(23)9-7-13/h10-11,13-14,23H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol?
4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 330.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 70311320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).