(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone

C15H20N6O — CID 134797477

IUPAC(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C15H20N6O/c1-18-6-8-19(9-7-18)15(22)12-10-20(11-12)14-3-4-16-13-2-5-17-21(13)14/h2-5,12H,6-11H2,1H3
InChIKeyPGRIPXYWFFUAHO-UHFFFAOYSA-N
MW300.37 g/mol
LogP-0.06
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone (PubChem CID 134797477) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone
PubChem CID134797477
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C15H20N6O/c1-18-6-8-19(9-7-18)15(22)12-10-20(11-12)14-3-4-16-13-2-5-17-21(13)14/h2-5,12H,6-11H2,1H3
InChIKeyPGRIPXYWFFUAHO-UHFFFAOYSA-N
XLogP-0.06
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone (CID 134797477) is (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone is CN1CCN(C(=O)C2CN(c3ccnc4ccnn34)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone?
The InChIKey is PGRIPXYWFFUAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-18-6-8-19(9-7-18)15(22)12-10-20(11-12)14-3-4-16-13-2-5-17-21(13)14/h2-5,12H,6-11H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone is sourced from PubChem (CID 134797477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).