[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone

C20H22N4O2 — CID 126424904

IUPAC[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
SMILESCCC[C@H]1COCCN1C(=O)c1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C20H22N4O2/c1-2-4-17-14-26-12-11-23(17)20(25)16-7-5-15(6-8-16)18-13-22-24-10-3-9-21-19(18)24/h3,5-10,13,17H,2,4,11-12,14H2,1H3/t17-/m0/s1
InChIKeyXRUGYWYXMNIYFC-KRWDZBQOSA-N
MW350.42 g/mol
LogP3.04
Rot. Bonds4

About [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone

[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone (PubChem CID 126424904) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
PubChem CID126424904
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
SMILESCCC[C@H]1COCCN1C(=O)c1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C20H22N4O2/c1-2-4-17-14-26-12-11-23(17)20(25)16-7-5-15(6-8-16)18-13-22-24-10-3-9-21-19(18)24/h3,5-10,13,17H,2,4,11-12,14H2,1H3/t17-/m0/s1
InChIKeyXRUGYWYXMNIYFC-KRWDZBQOSA-N
XLogP3.04
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone?
The IUPAC name of [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone (CID 126424904) is [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone is CCC[C@H]1COCCN1C(=O)c1ccc(-c2cnn3cccnc23)cc1.
What is the InChIKey of [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone?
The InChIKey is XRUGYWYXMNIYFC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-4-17-14-26-12-11-23(17)20(25)16-7-5-15(6-8-16)18-13-22-24-10-3-9-21-19(18)24/h3,5-10,13,17H,2,4,11-12,14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone?
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone is sourced from PubChem (CID 126424904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).