4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide

C22H29N3O2 — CID 93143075

IUPAC4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
SMILESCc1ccccc1[C@H]1c2cccn2CCN1C(=O)CCC(=O)NCC(C)C
InChIInChI=1S/C22H29N3O2/c1-16(2)15-23-20(26)10-11-21(27)25-14-13-24-12-6-9-19(24)22(25)18-8-5-4-7-17(18)3/h4-9,12,16,22H,10-11,13-15H2,1-3H3,(H,23,26)/t22-/m0/s1
InChIKeyOBQKEOCJTGSFKP-QFIPXVFZSA-N
MW367.49 g/mol
LogP3.28
Rot. Bonds6

About 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide

4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide (PubChem CID 93143075) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
PubChem CID93143075
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
SMILESCc1ccccc1[C@H]1c2cccn2CCN1C(=O)CCC(=O)NCC(C)C
InChIInChI=1S/C22H29N3O2/c1-16(2)15-23-20(26)10-11-21(27)25-14-13-24-12-6-9-19(24)22(25)18-8-5-4-7-17(18)3/h4-9,12,16,22H,10-11,13-15H2,1-3H3,(H,23,26)/t22-/m0/s1
InChIKeyOBQKEOCJTGSFKP-QFIPXVFZSA-N
XLogP3.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide?
The IUPAC name of 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide (CID 93143075) is 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide is Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)CCC(=O)NCC(C)C.
What is the InChIKey of 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide?
The InChIKey is OBQKEOCJTGSFKP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)15-23-20(26)10-11-21(27)25-14-13-24-12-6-9-19(24)22(25)18-8-5-4-7-17(18)3/h4-9,12,16,22H,10-11,13-15H2,1-3H3,(H,23,26)/t22-/m0/s1.
What are the key properties of 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide?
4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide has a molecular weight of 367.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide is sourced from PubChem (CID 93143075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).