1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one

C14H19N7O — CID 86808998

IUPAC1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
SMILESCn1ncc2c(N3CCCC(N4CCNC4=O)C3)ncnc21
InChIInChI=1S/C14H19N7O/c1-19-12-11(7-18-19)13(17-9-16-12)20-5-2-3-10(8-20)21-6-4-15-14(21)22/h7,9-10H,2-6,8H2,1H3,(H,15,22)
InChIKeyPISARWURMXQONU-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.36
Rot. Bonds2

About 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one

1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 86808998) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
PubChem CID86808998
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
SMILESCn1ncc2c(N3CCCC(N4CCNC4=O)C3)ncnc21
InChIInChI=1S/C14H19N7O/c1-19-12-11(7-18-19)13(17-9-16-12)20-5-2-3-10(8-20)21-6-4-15-14(21)22/h7,9-10H,2-6,8H2,1H3,(H,15,22)
InChIKeyPISARWURMXQONU-UHFFFAOYSA-N
XLogP0.36
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one (CID 86808998) is 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one is Cn1ncc2c(N3CCCC(N4CCNC4=O)C3)ncnc21.
What is the InChIKey of 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is PISARWURMXQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-19-12-11(7-18-19)13(17-9-16-12)20-5-2-3-10(8-20)21-6-4-15-14(21)22/h7,9-10H,2-6,8H2,1H3,(H,15,22).
What are the key properties of 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 301.35 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 86808998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).