1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C19H22ClN5 — CID 27825659

IUPAC1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESC[C@@H]1C[C@H](C)CN(c2ncnc3c2cnn3Cc2ccccc2Cl)C1
InChIInChI=1S/C19H22ClN5/c1-13-7-14(2)10-24(9-13)18-16-8-23-25(19(16)22-12-21-18)11-15-5-3-4-6-17(15)20/h3-6,8,12-14H,7,9-11H2,1-2H3/t13-,14+
InChIKeyAMYALDPYOWUIEQ-OKILXGFUSA-N
MW355.87 g/mol
LogP4.01
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 27825659) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID27825659
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESC[C@@H]1C[C@H](C)CN(c2ncnc3c2cnn3Cc2ccccc2Cl)C1
InChIInChI=1S/C19H22ClN5/c1-13-7-14(2)10-24(9-13)18-16-8-23-25(19(16)22-12-21-18)11-15-5-3-4-6-17(15)20/h3-6,8,12-14H,7,9-11H2,1-2H3/t13-,14+
InChIKeyAMYALDPYOWUIEQ-OKILXGFUSA-N
XLogP4.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 27825659) is 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is C[C@@H]1C[C@H](C)CN(c2ncnc3c2cnn3Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is AMYALDPYOWUIEQ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-13-7-14(2)10-24(9-13)18-16-8-23-25(19(16)22-12-21-18)11-15-5-3-4-6-17(15)20/h3-6,8,12-14H,7,9-11H2,1-2H3/t13-,14+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 355.87 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 27825659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).