[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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Related Compounds

Etp-45658
CID 25229608
Pyrazolo pyrimidine, 1
CID 44232672
3-(4-Morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-phenol
CID 44520808
Pyrazolo pyrimidine, 5d
CID 44520811
3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenol
CID 44520812
Pyrazolo pyrimidine, 5h
CID 135857415
Pyrazolo pyrimidine, 5b
CID 44520809
Pyrazolo pyrimidine, 5g
CID 135857414
3-(1-Methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
CID 46205037
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(oxan-4-yl)isoquinolin-1-one
CID 58008832
3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-propan-2-ylisoquinolin-1-one
CID 58008963
3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009066

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).