2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide

C27H29N5O3 — CID 24995841

IUPAC2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)NC4CCN(C)CC4)c3)cc12
InChIInChI=1S/C27H29N5O3/c1-32-12-10-20(11-13-32)29-27(34)25(33)18-7-5-6-17(14-18)19-15-22-24(30-31-26(22)28-16-19)21-8-3-4-9-23(21)35-2/h3-9,14-16,20,25,33H,10-13H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyWOOWUUZZOASXAF-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.54
Rot. Bonds6

About 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 24995841) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID24995841
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)NC4CCN(C)CC4)c3)cc12
InChIInChI=1S/C27H29N5O3/c1-32-12-10-20(11-13-32)29-27(34)25(33)18-7-5-6-17(14-18)19-15-22-24(30-31-26(22)28-16-19)21-8-3-4-9-23(21)35-2/h3-9,14-16,20,25,33H,10-13H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyWOOWUUZZOASXAF-UHFFFAOYSA-N
XLogP3.54
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide (CID 24995841) is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)NC4CCN(C)CC4)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is WOOWUUZZOASXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-32-12-10-20(11-13-32)29-27(34)25(33)18-7-5-6-17(14-18)19-15-22-24(30-31-26(22)28-16-19)21-8-3-4-9-23(21)35-2/h3-9,14-16,20,25,33H,10-13H2,1-2H3,(H,29,34)(H,28,30,31).
What are the key properties of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide?
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 24995841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).