5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H20N4O2 — CID 98775409

IUPAC5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyDABVCRXKDXEBBS-CZUORRHYSA-N
MW324.38 g/mol
LogP1.98
Rot. Bonds3

About 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98775409) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98775409
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyDABVCRXKDXEBBS-CZUORRHYSA-N
XLogP1.98
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120760812
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167972124
5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98190913
5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21035728
5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98513713
5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95762037
2-methyl-5-phenyl-4-(2-pyridin-4-ylethyl)morpholine
CID 71988450
4-methyl-1-[2-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627784
4-methyl-1-[2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627783
5-[(6-fluoro-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 131961703
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98775409) is 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is C[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DABVCRXKDXEBBS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1.
What are the key properties of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98775409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).