2-[5-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H23F2N5O4 — CID 53341330

IUPAC2-[5-[3-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)C1
InChIInChI=1S/C26H23F2N5O4/c1-31(2)26(36)23(34)19-12-29-21-10-22(37-3)18(9-17(19)21)25(35)32-6-7-33-15(13-32)11-30-24(33)16-5-4-14(27)8-20(16)28/h4-5,8-12,29H,6-7,13H2,1-3H3
InChIKeyFALYVQVLBDIOPP-UHFFFAOYSA-N
MW507.50 g/mol
LogP3.25
Rot. Bonds5

About 2-[5-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 53341330) has the molecular formula C26H23F2N5O4 and a molecular weight of 507.50 g/mol. Its IUPAC name is 2-[5-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID53341330
Molecular FormulaC26H23F2N5O4
Molecular Weight507.50 g/mol
Exact Mass507.17
IUPAC Name2-[5-[3-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)C1
InChIInChI=1S/C26H23F2N5O4/c1-31(2)26(36)23(34)19-12-29-21-10-22(37-3)18(9-17(19)21)25(35)32-6-7-33-15(13-32)11-30-24(33)16-5-4-14(27)8-20(16)28/h4-5,8-12,29H,6-7,13H2,1-3H3
InChIKeyFALYVQVLBDIOPP-UHFFFAOYSA-N
XLogP3.25
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507987
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
US11866405, Example 22
CID 163396268
US11866405, Example 69
CID 163396321
US11866405, Example 2
CID 163396372
Scio-323
CID 10288822
1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione
CID 16758225
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-2-carboxylic acid methyl ester
CID 11797983
3-(3-Imidazol-1-yl-propyl)-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 932398
[6-(2,4-Difluoro-phenylamino)-pyridin-3-yl]-(6-methoxy-2-methyl-3H-benzoimidazol-5-yl)-methanone
CID 10111212
2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10310740
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 10697758

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 53341330) is 2-[5-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)C1.
What is the InChIKey of 2-[5-[3-(2,4-difluorophenyl)-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 FALYVQVLBDIOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O4/c1-31(2)26(36)23(34)19-12-29-21-10-22(37-3)18(9-17(19)21)25(35)32-6-7-33-15(13-32)11-30-24(33)16-5-4-14(27)8-20(16)28/h4-5,8-12,29H,6-7,13H2,1-3H3.
What are the key properties of 2-[5-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 507.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2,4-difluorophenyl)-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 53341330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).