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

C30H37ClN6O3S — CID 170974973

IUPAC7-[[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
SMILESCC(C)(CNC(=O)CN)SC1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1.c1ccccc1
InChIInChI=1S/C24H31ClN6O3S.C6H6/c1-23(2,14-29-19(32)11-26)35-24(7-8-24)15-30-9-10-31-18(22(30)34)13-27-20(31)21(33)28-12-16-3-5-17(25)6-4-16;1-2-4-6-5-3-1/h3-6,13H,7-12,14-15,26H2,1-2H3,(H,28,33)(H,29,32);1-6H
InChIKeyUMNXCYFMAFXJIS-UHFFFAOYSA-N
MW597.19 g/mol
LogP3.73
Rot. Bonds10

About 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

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 (PubChem CID 170974973) has the molecular formula C30H37ClN6O3S and a molecular weight of 597.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID170974973
Molecular FormulaC30H37ClN6O3S
Molecular Weight597.19 g/mol
Exact Mass596.23
IUPAC Name7-[[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
SMILESCC(C)(CNC(=O)CN)SC1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1.c1ccccc1
InChIInChI=1S/C24H31ClN6O3S.C6H6/c1-23(2,14-29-19(32)11-26)35-24(7-8-24)15-30-9-10-31-18(22(30)34)13-27-20(31)21(33)28-12-16-3-5-17(25)6-4-16;1-2-4-6-5-3-1/h3-6,13H,7-12,14-15,26H2,1-2H3,(H,28,33)(H,29,32);1-6H
InChIKeyUMNXCYFMAFXJIS-UHFFFAOYSA-N
XLogP3.73
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.19
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
CID 174274988
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
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
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
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
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
1-(2-aminoacetyl)-N-[(4-chlorophenyl)methyl]-4-[[(4-ethylbenzoyl)amino]oxymethyl]piperidine-4-carboxamide
CID 91147980
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53041860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(CNC(=O)CN)SC1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1.c1ccccc1.
What is the InChIKey of 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?
The InChIKey is UMNXCYFMAFXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O3S.C6H6/c1-23(2,14-29-19(32)11-26)35-24(7-8-24)15-30-9-10-31-18(22(30)34)13-27-20(31)21(33)28-12-16-3-5-17(25)6-4-16;1-2-4-6-5-3-1/h3-6,13H,7-12,14-15,26H2,1-2H3,(H,28,33)(H,29,32);1-6H.
What are the key properties of 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?
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 has a molecular weight of 597.19 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170974973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).