2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide

C24H24N4O4 — CID 59824858

IUPAC2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)CCO)c3)cc12
InChIInChI=1S/C24H24N4O4/c1-28(10-11-29)24(31)22(30)16-7-5-6-15(12-16)17-13-19-21(26-27-23(19)25-14-17)18-8-3-4-9-20(18)32-2/h3-9,12-14,22,29-30H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyJXBVWFYNHXYUFQ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.78
Rot. Bonds7

About 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide

2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide (PubChem CID 59824858) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
PubChem CID59824858
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)CCO)c3)cc12
InChIInChI=1S/C24H24N4O4/c1-28(10-11-29)24(31)22(30)16-7-5-6-15(12-16)17-13-19-21(26-27-23(19)25-14-17)18-8-3-4-9-20(18)32-2/h3-9,12-14,22,29-30H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyJXBVWFYNHXYUFQ-UHFFFAOYSA-N
XLogP2.78
TPSA111.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide (CID 59824858) is 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)CCO)c3)cc12.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The InChIKey is JXBVWFYNHXYUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-28(10-11-29)24(31)22(30)16-7-5-6-15(12-16)17-13-19-21(26-27-23(19)25-14-17)18-8-3-4-9-20(18)32-2/h3-9,12-14,22,29-30H,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide has a molecular weight of 432.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 59824858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).