4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

C19H21N7 — CID 71226102

IUPAC4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc2c(c1)ncn2-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C19H21N7/c1-4-8-24(9-5-1)10-11-26-19-15(12-23-26)18(20-13-21-19)25-14-22-16-6-2-3-7-17(16)25/h2-3,6-7,12-14H,1,4-5,8-11H2
InChIKeyGWKFIZCQPOMDKL-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.65
Rot. Bonds4

About 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71226102) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71226102
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc2c(c1)ncn2-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C19H21N7/c1-4-8-24(9-5-1)10-11-26-19-15(12-23-26)18(20-13-21-19)25-14-22-16-6-2-3-7-17(16)25/h2-3,6-7,12-14H,1,4-5,8-11H2
InChIKeyGWKFIZCQPOMDKL-UHFFFAOYSA-N
XLogP2.65
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71226102) is 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is c1ccc2c(c1)ncn2-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is GWKFIZCQPOMDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-4-8-24(9-5-1)10-11-26-19-15(12-23-26)18(20-13-21-19)25-14-22-16-6-2-3-7-17(16)25/h2-3,6-7,12-14H,1,4-5,8-11H2.
What are the key properties of 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71226102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).