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

C26H35ClN6O5S — CID 170975123

IUPAC7-[[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
SMILESCC(O)C(N)C(=O)NCC(C)(C)S(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C26H35ClN6O5S/c1-16(34)20(28)22(35)31-14-25(2,3)39(38)26(8-9-26)15-32-10-11-33-19(24(32)37)13-29-21(33)23(36)30-12-17-4-6-18(27)7-5-17/h4-7,13,16,20,34H,8-12,14-15,28H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyXCYCONRSVLOQSA-UHFFFAOYSA-N
MW579.12 g/mol
LogP0.81
Rot. Bonds11

About 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

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 (PubChem CID 170975123) has the molecular formula C26H35ClN6O5S and a molecular weight of 579.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID170975123
Molecular FormulaC26H35ClN6O5S
Molecular Weight579.12 g/mol
Exact Mass578.21
IUPAC Name7-[[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
SMILESCC(O)C(N)C(=O)NCC(C)(C)S(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C26H35ClN6O5S/c1-16(34)20(28)22(35)31-14-25(2,3)39(38)26(8-9-26)15-32-10-11-33-19(24(32)37)13-29-21(33)23(36)30-12-17-4-6-18(27)7-5-17/h4-7,13,16,20,34H,8-12,14-15,28H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyXCYCONRSVLOQSA-UHFFFAOYSA-N
XLogP0.81
TPSA159.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.12
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-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
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-(4-hydroxy-2-methylbutan-2-yl)sulfanylcyclopropyl]methyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170975001
3-N-[(4-chlorophenyl)methyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072439
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)C(N)C(=O)NCC(C)(C)S(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of 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?
The InChIKey is XCYCONRSVLOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O5S/c1-16(34)20(28)22(35)31-14-25(2,3)39(38)26(8-9-26)15-32-10-11-33-19(24(32)37)13-29-21(33)23(36)30-12-17-4-6-18(27)7-5-17/h4-7,13,16,20,34H,8-12,14-15,28H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 579.12 g/mol, XLogP of 0.81, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170975123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).