N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

C24H30ClN3O4S — CID 170974977

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)(CCO)S(=O)C1(CN2CCn3c(C(=O)NCc4ccc(Cl)cc4)ccc3C2=O)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-23(2,11-14-29)33(32)24(9-10-24)16-27-12-13-28-19(7-8-20(28)22(27)31)21(30)26-15-17-3-5-18(25)6-4-17/h3-8,29H,9-16H2,1-2H3,(H,26,30)
InChIKeyKRZOHMWGAFJBHL-UHFFFAOYSA-N
MW492.04 g/mol
LogP2.97
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 170974977) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID170974977
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)(CCO)S(=O)C1(CN2CCn3c(C(=O)NCc4ccc(Cl)cc4)ccc3C2=O)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-23(2,11-14-29)33(32)24(9-10-24)16-27-12-13-28-19(7-8-20(28)22(27)31)21(30)26-15-17-3-5-18(25)6-4-17/h3-8,29H,9-16H2,1-2H3,(H,26,30)
InChIKeyKRZOHMWGAFJBHL-UHFFFAOYSA-N
XLogP2.97
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

2-[(1-tert-butylsulfinylcyclopropyl)methyl]-N-[(4-chlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
CID 170975183
N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170975187
N-[(4-chlorophenyl)methyl]-2-[[1-(3,4-dihydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-7-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide;ethane
CID 170975160
7-[[1-[1-[(2-amino-3-hydroxybutanoyl)amino]-2-methylpropan-2-yl]sulfinylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
CID 170975123
N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfanylcyclopropyl]methyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170975001
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
2-[2-[acetyl(methyl)amino]ethyl]-N-[(4-chlorophenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461477
7-[[1-[1-[(2-aminoacetyl)amino]-2-methylpropan-2-yl]sulfanylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide;benzene
CID 170974973
2-[[1-[(2R)-4-hydroxybutan-2-yl]sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 158001123
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 170974977) is N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide is CC(C)(CCO)S(=O)C1(CN2CCn3c(C(=O)NCc4ccc(Cl)cc4)ccc3C2=O)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KRZOHMWGAFJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-23(2,11-14-29)33(32)24(9-10-24)16-27-12-13-28-19(7-8-20(28)22(27)31)21(30)26-15-17-3-5-18(25)6-4-17/h3-8,29H,9-16H2,1-2H3,(H,26,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 170974977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).