3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide

C23H31N3O2 — CID 42788172

IUPAC3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)N1CCn2cccc2C1c1ccccc1)C(=O)CC(C)C
InChIInChI=1S/C23H31N3O2/c1-4-12-25(21(27)16-18(2)3)17-22(28)26-15-14-24-13-8-11-20(24)23(26)19-9-6-5-7-10-19/h5-11,13,18,23H,4,12,14-17H2,1-3H3
InChIKeyVHLXDLVPMJTMNI-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.70
Rot. Bonds7

About 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide

3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide (PubChem CID 42788172) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide
PubChem CID42788172
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)N1CCn2cccc2C1c1ccccc1)C(=O)CC(C)C
InChIInChI=1S/C23H31N3O2/c1-4-12-25(21(27)16-18(2)3)17-22(28)26-15-14-24-13-8-11-20(24)23(26)19-9-6-5-7-10-19/h5-11,13,18,23H,4,12,14-17H2,1-3H3
InChIKeyVHLXDLVPMJTMNI-UHFFFAOYSA-N
XLogP3.70
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
methyl N-(2-methylpropyl)-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 42813711
N-ethyl-2-methoxy-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]acetamide
CID 42813720
3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea
CID 42788189
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3343131
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide
CID 92950442
3-tert-butyl-1-ethyl-1-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 93305363
3-[2,6-di(propan-2-yl)phenyl]-1-[2-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propylurea
CID 92950521
N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylpentanamide
CID 3424121
3-chloro-N-ethyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]benzamide
CID 42797998
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 3465699

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide (CID 42788172) is 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide is CCCN(CC(=O)N1CCn2cccc2C1c1ccccc1)C(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide?
The InChIKey is VHLXDLVPMJTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-12-25(21(27)16-18(2)3)17-22(28)26-15-14-24-13-8-11-20(24)23(26)19-9-6-5-7-10-19/h5-11,13,18,23H,4,12,14-17H2,1-3H3.
What are the key properties of 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide?
3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide has a molecular weight of 381.52 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide is sourced from PubChem (CID 42788172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).