oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone

C20H25N7O3 — CID 119101016

IUPACoxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H25N7O3/c28-19(24-6-8-25(9-7-24)20(29)16-3-1-10-30-16)15-12-26(13-15)17-11-18(22-14-21-17)27-5-2-4-23-27/h2,4-5,11,14-16H,1,3,6-10,12-13H2
InChIKeyUKDKJKIPSQUHGT-UHFFFAOYSA-N
MW411.47 g/mol
LogP-0.05
Rot. Bonds4

About oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 119101016) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID119101016
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Nameoxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H25N7O3/c28-19(24-6-8-25(9-7-24)20(29)16-3-1-10-30-16)15-12-26(13-15)17-11-18(22-14-21-17)27-5-2-4-23-27/h2,4-5,11,14-16H,1,3,6-10,12-13H2
InChIKeyUKDKJKIPSQUHGT-UHFFFAOYSA-N
XLogP-0.05
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone (CID 119101016) is oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone is O=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is UKDKJKIPSQUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c28-19(24-6-8-25(9-7-24)20(29)16-3-1-10-30-16)15-12-26(13-15)17-11-18(22-14-21-17)27-5-2-4-23-27/h2,4-5,11,14-16H,1,3,6-10,12-13H2.
What are the key properties of oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 411.47 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119101016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).