2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide

C22H26ClN5O3S — CID 24734312

IUPAC2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccc(Cl)s4)CCN3C2=O)c1
InChIInChI=1S/C22H26ClN5O3S/c1-25(2)16-5-3-4-15(10-16)11-24-20(29)14-28-21(30)18-13-26(8-9-27(18)22(28)31)12-17-6-7-19(23)32-17/h3-7,10,18H,8-9,11-14H2,1-2H3,(H,24,29)
InChIKeyHKCDWHDNNFEMHC-UHFFFAOYSA-N
MW476.00 g/mol
LogP2.23
Rot. Bonds7

About 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide

2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 24734312) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide
PubChem CID24734312
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccc(Cl)s4)CCN3C2=O)c1
InChIInChI=1S/C22H26ClN5O3S/c1-25(2)16-5-3-4-15(10-16)11-24-20(29)14-28-21(30)18-13-26(8-9-27(18)22(28)31)12-17-6-7-19(23)32-17/h3-7,10,18H,8-9,11-14H2,1-2H3,(H,24,29)
InChIKeyHKCDWHDNNFEMHC-UHFFFAOYSA-N
XLogP2.23
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 24734305
2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide
CID 24734269
7-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24734174
N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 25468861
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
N-[[3-(dimethylamino)phenyl]methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47088588
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8617426
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 87012882
4-[(5-chlorothiophen-2-yl)methyl]-N-[(3-cyanophenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111358832

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide (CID 24734312) is 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccc(Cl)s4)CCN3C2=O)c1.
What is the InChIKey of 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is HKCDWHDNNFEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c1-25(2)16-5-3-4-15(10-16)11-24-20(29)14-28-21(30)18-13-26(8-9-27(18)22(28)31)12-17-6-7-19(23)32-17/h3-7,10,18H,8-9,11-14H2,1-2H3,(H,24,29).
What are the key properties of 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide?
2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 476.00 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 24734312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).