1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

C17H18ClN5 — CID 3554231

IUPAC1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN5/c1-12-3-2-8-22(10-12)16-15-9-21-23(17(15)20-11-19-16)14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3
InChIKeyZEOJNTJQBFWIBL-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.71
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 3554231) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID3554231
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN5/c1-12-3-2-8-22(10-12)16-15-9-21-23(17(15)20-11-19-16)14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3
InChIKeyZEOJNTJQBFWIBL-UHFFFAOYSA-N
XLogP3.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 3554231) is 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is CC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZEOJNTJQBFWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-12-3-2-8-22(10-12)16-15-9-21-23(17(15)20-11-19-16)14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 327.82 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3554231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).