1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

C22H26ClN5 — CID 42672634

IUPAC1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccccc1-n1ncc2c(N3CCCCC3)nc(C3CCCCC3)nc21
InChIInChI=1S/C22H26ClN5/c23-18-11-5-6-12-19(18)28-22-17(15-24-28)21(27-13-7-2-8-14-27)25-20(26-22)16-9-3-1-4-10-16/h5-6,11-12,15-16H,1-4,7-10,13-14H2
InChIKeyAZEVTWZORNMBLQ-UHFFFAOYSA-N
MW395.94 g/mol
LogP5.51
Rot. Bonds3

About 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 42672634) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID42672634
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESClc1ccccc1-n1ncc2c(N3CCCCC3)nc(C3CCCCC3)nc21
InChIInChI=1S/C22H26ClN5/c23-18-11-5-6-12-19(18)28-22-17(15-24-28)21(27-13-7-2-8-14-27)25-20(26-22)16-9-3-1-4-10-16/h5-6,11-12,15-16H,1-4,7-10,13-14H2
InChIKeyAZEVTWZORNMBLQ-UHFFFAOYSA-N
XLogP5.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 42672634) is 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is Clc1ccccc1-n1ncc2c(N3CCCCC3)nc(C3CCCCC3)nc21.
What is the InChIKey of 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is AZEVTWZORNMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c23-18-11-5-6-12-19(18)28-22-17(15-24-28)21(27-13-7-2-8-14-27)25-20(26-22)16-9-3-1-4-10-16/h5-6,11-12,15-16H,1-4,7-10,13-14H2.
What are the key properties of 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 395.94 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42672634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).