1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

C16H17N5 — CID 724753

IUPAC1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C16H17N5/c1-3-7-13(8-4-1)21-16-14(11-19-21)15(17-12-18-16)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyAMRPAMSVFKIGHT-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.81
Rot. Bonds2

About 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 724753) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID724753
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C16H17N5/c1-3-7-13(8-4-1)21-16-14(11-19-21)15(17-12-18-16)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyAMRPAMSVFKIGHT-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 724753) is 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is AMRPAMSVFKIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-7-13(8-4-1)21-16-14(11-19-21)15(17-12-18-16)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 724753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).