4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one

C17H23N7O — CID 84594224

IUPAC4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
SMILESNc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1
InChIInChI=1S/C17H23N7O/c18-17-20-14(10-15(21-17)24-7-3-6-19-24)22-8-9-23(16(25)12-22)11-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H2,18,20,21)
InChIKeyOMASLOLKHYPGLB-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.08
Rot. Bonds4

About 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one

4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one (PubChem CID 84594224) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
PubChem CID84594224
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
SMILESNc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1
InChIInChI=1S/C17H23N7O/c18-17-20-14(10-15(21-17)24-7-3-6-19-24)22-8-9-23(16(25)12-22)11-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H2,18,20,21)
InChIKeyOMASLOLKHYPGLB-UHFFFAOYSA-N
XLogP1.08
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one (CID 84594224) is 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one is Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1.
What is the InChIKey of 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
The InChIKey is OMASLOLKHYPGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c18-17-20-14(10-15(21-17)24-7-3-6-19-24)22-8-9-23(16(25)12-22)11-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H2,18,20,21).
What are the key properties of 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one?
4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one is sourced from PubChem (CID 84594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).