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

C25H29N3O3 — CID 93143059

IUPACN-tert-butyl-N-[2-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-18-9-11-19(12-10-18)23-20-7-5-13-26(20)14-15-27(23)22(29)17-28(25(2,3)4)24(30)21-8-6-16-31-21/h5-13,16,23H,14-15,17H2,1-4H3/t23-/m0/s1
InChIKeySJTYZQPVBIALTM-QHCPKHFHSA-N
MW419.53 g/mol
LogP4.26
Rot. Bonds4

About 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

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 (PubChem CID 93143059) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID93143059
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-tert-butyl-N-[2-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-18-9-11-19(12-10-18)23-20-7-5-13-26(20)14-15-27(23)22(29)17-28(25(2,3)4)24(30)21-8-6-16-31-21/h5-13,16,23H,14-15,17H2,1-4H3/t23-/m0/s1
InChIKeySJTYZQPVBIALTM-QHCPKHFHSA-N
XLogP4.26
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
N-tert-butyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 3410644
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
1-tert-butyl-3-ethyl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]urea
CID 42813729
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-tert-butyl-3-fluoro-N-[2-[(1R)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
CID 93305627
1-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylpropylamino)ethanone
CID 42782363
N-tert-butyl-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 46011535
N-(4-tert-butylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994589
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
N-tert-butyl-N-[2-[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 93305367
ethyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 43994582

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)c2ccco2)C(C)(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is SJTYZQPVBIALTM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-9-11-19(12-10-18)23-20-7-5-13-26(20)14-15-27(23)22(29)17-28(25(2,3)4)24(30)21-8-6-16-31-21/h5-13,16,23H,14-15,17H2,1-4H3/t23-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 419.53 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).