[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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Related Compounds

3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-methoxy-N-morpholinobenzamide
CID 44577779
N-[3-[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]-4-methylphenyl]-4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 162646272
2-(2,4-difluorophenyl)-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
CID 162664064
2-(3,4-difluorophenyl)-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
CID 162672957
[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
CID 162652540
2-(2,4-difluorophenyl)-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-4-methylpiperidin-1-yl]ethanone
CID 162653367
N-[3-[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]-4-methylphenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 162675508
4-[(3-methoxyphenyl)methyl]-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168284192
US10399989, Example 37
CID 126717848
US10399989, Example 29
CID 126717851
US10399989, Example 34
CID 126717852
US10399989, Example 50
CID 126717875

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).