N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide

C26H31N3O3 — CID 25072965

IUPACN-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccc(C2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C26H31N3O3/c1-18(2)20-9-11-21(12-10-20)25-22-7-5-13-27(22)14-15-28(25)24(30)17-29(19(3)4)26(31)23-8-6-16-32-23/h5-13,16,18-19,25H,14-15,17H2,1-4H3
InChIKeyNBPCUUPYUFZPHR-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.69
Rot. Bonds6

About N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide

N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 25072965) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID25072965
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccc(C2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C26H31N3O3/c1-18(2)20-9-11-21(12-10-20)25-22-7-5-13-27(22)14-15-28(25)24(30)17-29(19(3)4)26(31)23-8-6-16-32-23/h5-13,16,18-19,25H,14-15,17H2,1-4H3
InChIKeyNBPCUUPYUFZPHR-UHFFFAOYSA-N
XLogP4.69
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide with MolForge

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Related Compounds

N-[2-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42788975
3-methoxy-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 42788181
N-tert-butyl-N-[2-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]furan-2-carboxamide
CID 93143059
3-(4-ethoxyphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1-propan-2-ylurea
CID 4198841
3-benzyl-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 4119078
ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
CID 4125081
N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42659564
N-(2-methoxyethyl)-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]benzamide
CID 4691932
N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide
CID 42813739
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
1-[2-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 92908820
3-chloro-N-[2-[(1S)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 92946730

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide (CID 25072965) is N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)c1ccc(C2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is NBPCUUPYUFZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18(2)20-9-11-21(12-10-20)25-22-7-5-13-27(22)14-15-28(25)24(30)17-29(19(3)4)26(31)23-8-6-16-32-23/h5-13,16,18-19,25H,14-15,17H2,1-4H3.
What are the key properties of N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide?
N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 25072965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).