[(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

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

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Related Compounds

(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one
CID 126449300
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124977212
[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
CID 125164657
4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
CID 56701359
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
morpholin-4-yl-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 144901391
6-[3-[(3S)-3-propylmorpholine-4-carbonyl]phenyl]-1H-pyridin-2-one
CID 126425423
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337

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).