1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one

C16H17N7O — CID 56887853

IUPAC1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C16H17N7O/c24-16-19-8-10-22(16)9-7-18-15-11-13(12-1-4-17-5-2-12)21-14-3-6-20-23(14)15/h1-6,11,18H,7-10H2,(H,19,24)
InChIKeyVTUZFZYDAWLWFJ-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 56887853) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one
PubChem CID56887853
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C16H17N7O/c24-16-19-8-10-22(16)9-7-18-15-11-13(12-1-4-17-5-2-12)21-14-3-6-20-23(14)15/h1-6,11,18H,7-10H2,(H,19,24)
InChIKeyVTUZFZYDAWLWFJ-UHFFFAOYSA-N
XLogP1.23
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one (CID 56887853) is 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(-c2ccncc2)nc2ccnn12.
What is the InChIKey of 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is VTUZFZYDAWLWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16-19-8-10-22(16)9-7-18-15-11-13(12-1-4-17-5-2-12)21-14-3-6-20-23(14)15/h1-6,11,18H,7-10H2,(H,19,24).
What are the key properties of 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 323.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56887853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).