1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

C18H20ClN5 — CID 662023

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN5/c1-13-6-8-23(9-7-13)17-16-10-22-24(18(16)21-12-20-17)11-14-2-4-15(19)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeySBHWYXLDNBJAHX-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.76
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 662023) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID662023
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN5/c1-13-6-8-23(9-7-13)17-16-10-22-24(18(16)21-12-20-17)11-14-2-4-15(19)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeySBHWYXLDNBJAHX-UHFFFAOYSA-N
XLogP3.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 662023) is 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is CC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is SBHWYXLDNBJAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-13-6-8-23(9-7-13)17-16-10-22-24(18(16)21-12-20-17)11-14-2-4-15(19)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 341.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 662023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).