(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone

C16H20N4OS — CID 71993602

IUPAC(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)C1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1
InChIInChI=1S/C16H20N4OS/c1-12(2)14-11-19(9-10-22-14)16(21)13-5-3-6-15(18-13)20-8-4-7-17-20/h3-8,12,14H,9-11H2,1-2H3
InChIKeyJZRZBZNLFGLICB-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.48
Rot. Bonds3

About (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone

(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 71993602) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID71993602
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)C1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1
InChIInChI=1S/C16H20N4OS/c1-12(2)14-11-19(9-10-22-14)16(21)13-5-3-6-15(18-13)20-8-4-7-17-20/h3-8,12,14H,9-11H2,1-2H3
InChIKeyJZRZBZNLFGLICB-UHFFFAOYSA-N
XLogP2.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone (CID 71993602) is (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone is CC(C)C1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1.
What is the InChIKey of (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is JZRZBZNLFGLICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12(2)14-11-19(9-10-22-14)16(21)13-5-3-6-15(18-13)20-8-4-7-17-20/h3-8,12,14H,9-11H2,1-2H3.
What are the key properties of (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 71993602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).