(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one

C21H27N5O2 — CID 126447440

IUPAC(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C2
InChIInChI=1S/C21H27N5O2/c1-15-5-3-4-6-17(15)13-24-8-7-22-21(28)19(24)12-20(27)25-9-10-26-18(14-25)11-16(2)23-26/h3-6,11,19H,7-10,12-14H2,1-2H3,(H,22,28)/t19-/m0/s1
InChIKeyNVQVFUJVCQSYMM-IBGZPJMESA-N
MW381.48 g/mol
LogP1.23
Rot. Bonds4

About (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one

(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one (PubChem CID 126447440) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
PubChem CID126447440
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C2
InChIInChI=1S/C21H27N5O2/c1-15-5-3-4-6-17(15)13-24-8-7-22-21(28)19(24)12-20(27)25-9-10-26-18(14-25)11-16(2)23-26/h3-6,11,19H,7-10,12-14H2,1-2H3,(H,22,28)/t19-/m0/s1
InChIKeyNVQVFUJVCQSYMM-IBGZPJMESA-N
XLogP1.23
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-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

(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 95722194
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95724218
N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24792111
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 126444704
N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622
N-(cyclohexen-1-ylmethyl)-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 125156254

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one (CID 126447440) is (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one is Cc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C2.
What is the InChIKey of (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one?
The InChIKey is NVQVFUJVCQSYMM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-5-3-4-6-17(15)13-24-8-7-22-21(28)19(24)12-20(27)25-9-10-26-18(14-25)11-16(2)23-26/h3-6,11,19H,7-10,12-14H2,1-2H3,(H,22,28)/t19-/m0/s1.
What are the key properties of (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one?
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 126447440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).