1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone

C22H26N6O3 — CID 44520809

IUPAC1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C22H26N6O3/c1-15(29)26-7-5-17(6-8-26)28-22-19(14-23-28)21(27-9-11-31-12-10-27)24-20(25-22)16-3-2-4-18(30)13-16/h2-4,13-14,17,30H,5-12H2,1H3
InChIKeyHJXUNYAALNBZSU-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone

1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 44520809) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone
PubChem CID44520809
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C22H26N6O3/c1-15(29)26-7-5-17(6-8-26)28-22-19(14-23-28)21(27-9-11-31-12-10-27)24-20(25-22)16-3-2-4-18(30)13-16/h2-4,13-14,17,30H,5-12H2,1H3
InChIKeyHJXUNYAALNBZSU-UHFFFAOYSA-N
XLogP2.22
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone (CID 44520809) is 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1.
What is the InChIKey of 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HJXUNYAALNBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15(29)26-7-5-17(6-8-26)28-22-19(14-23-28)21(27-9-11-31-12-10-27)24-20(25-22)16-3-2-4-18(30)13-16/h2-4,13-14,17,30H,5-12H2,1H3.
What are the key properties of 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 422.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 44520809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).