4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C19H22ClN5 — CID 74767212

IUPAC4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)c(-c2ncnc3c2cnn3CCN2CCCCC2)c1
InChIInChI=1S/C19H22ClN5/c1-14-5-6-17(20)15(11-14)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeySNVSKDGQHZGSDF-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.94
Rot. Bonds4

About 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767212) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767212
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)c(-c2ncnc3c2cnn3CCN2CCCCC2)c1
InChIInChI=1S/C19H22ClN5/c1-14-5-6-17(20)15(11-14)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeySNVSKDGQHZGSDF-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767212) is 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Cc1ccc(Cl)c(-c2ncnc3c2cnn3CCN2CCCCC2)c1.
What is the InChIKey of 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is SNVSKDGQHZGSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-14-5-6-17(20)15(11-14)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 355.87 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).