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

C24H22N4O4 — CID 11546464

IUPAC[2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C24H22N4O4/c1-31-21-5-3-2-4-17(21)22-19-13-16(14-25-23(19)27-26-22)15-6-7-20(29)18(12-15)24(30)28-8-10-32-11-9-28/h2-7,12-14,29H,8-11H2,1H3,(H,25,26,27)
InChIKeyYTFFMSYOFJQDEJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.48
Rot. Bonds4

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

[2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 11546464) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID11546464
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name[2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C24H22N4O4/c1-31-21-5-3-2-4-17(21)22-19-13-16(14-25-23(19)27-26-22)15-6-7-20(29)18(12-15)24(30)28-8-10-32-11-9-28/h2-7,12-14,29H,8-11H2,1H3,(H,25,26,27)
InChIKeyYTFFMSYOFJQDEJ-UHFFFAOYSA-N
XLogP3.48
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 11546464) is [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ccccc1-c1[nH]nc2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YTFFMSYOFJQDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-21-5-3-2-4-17(21)22-19-13-16(14-25-23(19)27-26-22)15-6-7-20(29)18(12-15)24(30)28-8-10-32-11-9-28/h2-7,12-14,29H,8-11H2,1H3,(H,25,26,27).
What are the key properties of [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 430.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11546464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).