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'}

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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).