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

C27H28N6O3 — CID 44520810

IUPAC[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C27H28N6O3/c34-22-8-4-7-20(17-22)24-29-25(31-13-15-36-16-14-31)23-18-28-33(26(23)30-24)21-9-11-32(12-10-21)27(35)19-5-2-1-3-6-19/h1-8,17-18,21,34H,9-16H2
InChIKeyAOIQRIAWTIYQBH-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.51
Rot. Bonds4

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

[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 44520810) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone
PubChem CID44520810
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C27H28N6O3/c34-22-8-4-7-20(17-22)24-29-25(31-13-15-36-16-14-31)23-18-28-33(26(23)30-24)21-9-11-32(12-10-21)27(35)19-5-2-1-3-6-19/h1-8,17-18,21,34H,9-16H2
InChIKeyAOIQRIAWTIYQBH-UHFFFAOYSA-N
XLogP3.51
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone (CID 44520810) is [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1.
What is the InChIKey of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is AOIQRIAWTIYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c34-22-8-4-7-20(17-22)24-29-25(31-13-15-36-16-14-31)23-18-28-33(26(23)30-24)21-9-11-32(12-10-21)27(35)19-5-2-1-3-6-19/h1-8,17-18,21,34H,9-16H2.
What are the key properties of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone?
[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 484.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 44520810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).