[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C25H24N4O2 — CID 59836037

IUPAC[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C25H24N4O2/c1-2-17-6-3-4-9-21(17)23-22-15-20(16-26-24(22)28-27-23)18-7-5-8-19(14-18)25(30)29-10-12-31-13-11-29/h3-9,14-16H,2,10-13H2,1H3,(H,26,27,28)
InChIKeyOAJYYXZPQOFCLR-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.33
Rot. Bonds4

About [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59836037) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59836037
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C25H24N4O2/c1-2-17-6-3-4-9-21(17)23-22-15-20(16-26-24(22)28-27-23)18-7-5-8-19(14-18)25(30)29-10-12-31-13-11-29/h3-9,14-16H,2,10-13H2,1H3,(H,26,27,28)
InChIKeyOAJYYXZPQOFCLR-UHFFFAOYSA-N
XLogP4.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 59836037) is [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is CCc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is OAJYYXZPQOFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-17-6-3-4-9-21(17)23-22-15-20(16-26-24(22)28-27-23)18-7-5-8-19(14-18)25(30)29-10-12-31-13-11-29/h3-9,14-16H,2,10-13H2,1H3,(H,26,27,28).
What are the key properties of [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59836037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).