(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

C18H26N6O — CID 134800334

IUPAC(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)CC1
InChIInChI=1S/C18H26N6O/c1-2-21-11-13-23(14-12-21)18(25)15-5-9-22(10-6-15)17-4-7-19-16-3-8-20-24(16)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyMQSMNZMLKIEFEI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.11
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (PubChem CID 134800334) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
PubChem CID134800334
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)CC1
InChIInChI=1S/C18H26N6O/c1-2-21-11-13-23(14-12-21)18(25)15-5-9-22(10-6-15)17-4-7-19-16-3-8-20-24(16)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyMQSMNZMLKIEFEI-UHFFFAOYSA-N
XLogP1.11
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (CID 134800334) is (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is CCN1CCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The InChIKey is MQSMNZMLKIEFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-21-11-13-23(14-12-21)18(25)15-5-9-22(10-6-15)17-4-7-19-16-3-8-20-24(16)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 134800334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).