N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide

C24H30N4O2 — CID 42798273

IUPACN-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(C2c3cccn3CCN2Cc2ccc(C(=O)NCCN(C)C)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-18-6-8-19(9-7-18)23-21-5-4-13-27(21)15-16-28(23)17-20-10-11-22(30-20)24(29)25-12-14-26(2)3/h4-11,13,23H,12,14-17H2,1-3H3,(H,25,29)
InChIKeyQUYMWDLUFXGDPA-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide (PubChem CID 42798273) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
PubChem CID42798273
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(C2c3cccn3CCN2Cc2ccc(C(=O)NCCN(C)C)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-18-6-8-19(9-7-18)23-21-5-4-13-27(21)15-16-28(23)17-20-10-11-22(30-20)24(29)25-12-14-26(2)3/h4-11,13,23H,12,14-17H2,1-3H3,(H,25,29)
InChIKeyQUYMWDLUFXGDPA-UHFFFAOYSA-N
XLogP3.29
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide
CID 42812524
5-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxylic acid
CID 42779321
5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42798237
N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798215
N-cyclohexyl-5-[[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798324
2-[(2,6-difluorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46036714
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42858767
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 46043592
N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 46055967
(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 7387277
N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 18580534
N-(4-methylphenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55601063

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide (CID 42798273) is N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide is Cc1ccc(C2c3cccn3CCN2Cc2ccc(C(=O)NCCN(C)C)o2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The InChIKey is QUYMWDLUFXGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-6-8-19(9-7-18)23-21-5-4-13-27(21)15-16-28(23)17-20-10-11-22(30-20)24(29)25-12-14-26(2)3/h4-11,13,23H,12,14-17H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42798273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).