oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H20N6O2 — CID 122337280

IUPACoxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H20N6O2/c23-16(13-2-9-24-11-13)21-7-5-20(6-8-21)14-10-15(18-12-17-14)22-4-1-3-19-22/h1,3-4,10,12-13H,2,5-9,11H2
InChIKeyAMPGLEPWUUUQLY-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.35
Rot. Bonds3

About oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122337280) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122337280
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Nameoxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H20N6O2/c23-16(13-2-9-24-11-13)21-7-5-20(6-8-21)14-10-15(18-12-17-14)22-4-1-3-19-22/h1,3-4,10,12-13H,2,5-9,11H2
InChIKeyAMPGLEPWUUUQLY-UHFFFAOYSA-N
XLogP0.35
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
1-[4-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 119101000
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194
(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
CID 122290663
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122341099

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122337280) is oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CCOC1)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is AMPGLEPWUUUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-16(13-2-9-24-11-13)21-7-5-20(6-8-21)14-10-15(18-12-17-14)22-4-1-3-19-22/h1,3-4,10,12-13H,2,5-9,11H2.
What are the key properties of oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122337280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).