4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

C27H30N6O2 — CID 135857415

IUPAC4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESOc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C27H30N6O2/c34-23-8-6-21(7-9-23)25-29-26(32-14-16-35-17-15-32)24-18-28-33(27(24)30-25)22-10-12-31(13-11-22)19-20-4-2-1-3-5-20/h1-9,18,22,34H,10-17,19H2
InChIKeyVCVGIBMHLBEHEP-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.87
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (PubChem CID 135857415) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
PubChem CID135857415
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESOc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C27H30N6O2/c34-23-8-6-21(7-9-23)25-29-26(32-14-16-35-17-15-32)24-18-28-33(27(24)30-25)22-10-12-31(13-11-22)19-20-4-2-1-3-5-20/h1-9,18,22,34H,10-17,19H2
InChIKeyVCVGIBMHLBEHEP-UHFFFAOYSA-N
XLogP3.87
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Etp-45658
CID 25229608
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
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, 5c
CID 44520810
3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenol
CID 44520812
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-(3,6-dihydro-2H-pyran-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156032
3-(1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156033

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (CID 135857415) is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is Oc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The InChIKey is VCVGIBMHLBEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c34-23-8-6-21(7-9-23)25-29-26(32-14-16-35-17-15-32)24-18-28-33(27(24)30-25)22-10-12-31(13-11-22)19-20-4-2-1-3-5-20/h1-9,18,22,34H,10-17,19H2.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol has a molecular weight of 470.58 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 135857415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).