2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

C27H30N6O2 — CID 135857414

IUPAC2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
InChIInChI=1S/C27H30N6O2/c34-24-9-5-4-8-22(24)25-29-26(32-14-16-35-17-15-32)23-18-28-33(27(23)30-25)21-10-12-31(13-11-21)19-20-6-2-1-3-7-20/h1-9,18,21,34H,10-17,19H2
InChIKeyMATKXKBQRWTLGT-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (PubChem CID 135857414) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
PubChem CID135857414
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
InChIInChI=1S/C27H30N6O2/c34-24-9-5-4-8-22(24)25-29-26(32-14-16-35-17-15-32)23-18-28-33(27(23)30-25)21-10-12-31(13-11-21)19-20-6-2-1-3-7-20/h1-9,18,21,34H,10-17,19H2
InChIKeyMATKXKBQRWTLGT-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (CID 135857414) is 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is Oc1ccccc1-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1.
What is the InChIKey of 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The InChIKey is MATKXKBQRWTLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c34-24-9-5-4-8-22(24)25-29-26(32-14-16-35-17-15-32)23-18-28-33(27(23)30-25)21-10-12-31(13-11-21)19-20-6-2-1-3-7-20/h1-9,18,21,34H,10-17,19H2.
What are the key properties of 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
2-[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 2-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 135857414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).