(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one

C20H21N5O2 — CID 126449300

IUPAC(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one
SMILESCCN1CCN(C(=O)c2ccc(-c3cnn4cccnc34)cc2)[C@H](C)C1=O
InChIInChI=1S/C20H21N5O2/c1-3-23-11-12-24(14(2)19(23)26)20(27)16-7-5-15(6-8-16)17-13-22-25-10-4-9-21-18(17)25/h4-10,13-14H,3,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRMRCMVQNDWBWRB-CQSZACIVSA-N
MW363.42 g/mol
LogP2.09
Rot. Bonds3

About (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one

(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one (PubChem CID 126449300) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one
PubChem CID126449300
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one
SMILESCCN1CCN(C(=O)c2ccc(-c3cnn4cccnc34)cc2)[C@H](C)C1=O
InChIInChI=1S/C20H21N5O2/c1-3-23-11-12-24(14(2)19(23)26)20(27)16-7-5-15(6-8-16)17-13-22-25-10-4-9-21-18(17)25/h4-10,13-14H,3,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRMRCMVQNDWBWRB-CQSZACIVSA-N
XLogP2.09
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one (CID 126449300) is (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one is CCN1CCN(C(=O)c2ccc(-c3cnn4cccnc34)cc2)[C@H](C)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one?
The InChIKey is RMRCMVQNDWBWRB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-23-11-12-24(14(2)19(23)26)20(27)16-7-5-15(6-8-16)17-13-22-25-10-4-9-21-18(17)25/h4-10,13-14H,3,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one?
(3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-methyl-4-(4-pyrazolo[1,5-a]pyrimidin-3-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 126449300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).