4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

C23H22FN5 — CID 7205389

IUPAC4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C23H22FN5/c24-19-6-8-20(9-7-19)29-23-21(15-27-29)22(25-16-26-23)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2
InChIKeyZVKOZTHOQRVMRJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 7205389) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID7205389
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C23H22FN5/c24-19-6-8-20(9-7-19)29-23-21(15-27-29)22(25-16-26-23)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2
InChIKeyZVKOZTHOQRVMRJ-UHFFFAOYSA-N
XLogP4.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017178
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
CID 6988765
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756
4-(azepan-1-yl)-1-(3-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 110433696

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (CID 7205389) is 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is Fc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZVKOZTHOQRVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-19-6-8-20(9-7-19)29-23-21(15-27-29)22(25-16-26-23)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 387.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7205389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).