2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H24ClN5O4 — CID 53341367

IUPAC2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccccc2Cl)C1
InChIInChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)19-13-28-21-11-22(36-3)18(10-17(19)21)25(34)31-8-9-32-15(14-31)12-29-24(32)16-6-4-5-7-20(16)27/h4-7,10-13,28H,8-9,14H2,1-3H3
InChIKeySBTZOZUPVVZRKL-UHFFFAOYSA-N
MW505.96 g/mol
LogP3.62
Rot. Bonds5

About 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 53341367) has the molecular formula C26H24ClN5O4 and a molecular weight of 505.96 g/mol. Its IUPAC name is 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID53341367
Molecular FormulaC26H24ClN5O4
Molecular Weight505.96 g/mol
Exact Mass505.15
IUPAC Name2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccccc2Cl)C1
InChIInChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)19-13-28-21-11-22(36-3)18(10-17(19)21)25(34)31-8-9-32-15(14-31)12-29-24(32)16-6-4-5-7-20(16)27/h4-7,10-13,28H,8-9,14H2,1-3H3
InChIKeySBTZOZUPVVZRKL-UHFFFAOYSA-N
XLogP3.62
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.96
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 53341367) is 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccccc2Cl)C1.
What is the InChIKey of 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is SBTZOZUPVVZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)19-13-28-21-11-22(36-3)18(10-17(19)21)25(34)31-8-9-32-15(14-31)12-29-24(32)16-6-4-5-7-20(16)27/h4-7,10-13,28H,8-9,14H2,1-3H3.
What are the key properties of 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 505.96 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 53341367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).