morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone

C17H22N6O2 — CID 110253975

IUPACmorpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C2CCCN(c3ncccn3)C2)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H22N6O2/c24-16(22-7-9-25-10-8-22)15-11-14(20-21-15)13-3-1-6-23(12-13)17-18-4-2-5-19-17/h2,4-5,11,13H,1,3,6-10,12H2,(H,20,21)
InChIKeyIDSJSRFJKYDGOJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.06
Rot. Bonds3

About morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone

morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 110253975) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone
PubChem CID110253975
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Namemorpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C2CCCN(c3ncccn3)C2)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H22N6O2/c24-16(22-7-9-25-10-8-22)15-11-14(20-21-15)13-3-1-6-23(12-13)17-18-4-2-5-19-17/h2,4-5,11,13H,1,3,6-10,12H2,(H,20,21)
InChIKeyIDSJSRFJKYDGOJ-UHFFFAOYSA-N
XLogP1.06
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone (CID 110253975) is morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(C2CCCN(c3ncccn3)C2)[nH]n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is IDSJSRFJKYDGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-16(22-7-9-25-10-8-22)15-11-14(20-21-15)13-3-1-6-23(12-13)17-18-4-2-5-19-17/h2,4-5,11,13H,1,3,6-10,12H2,(H,20,21).
What are the key properties of morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone?
morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 110253975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).