2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C53H48ClF3N10O7 — CID 123497760

IUPAC2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCn3c(cnc3-c3ccc(F)cc3F)C1)c(C(=O)C(=O)N(C)C)cn2C.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)c[nH]c3cc1Cl)C2
InChIInChI=1S/C27H25F2N5O4.C26H23ClFN5O3/c1-31(2)27(37)24(35)20-14-32(3)22-11-23(38-4)19(10-18(20)22)26(36)33-7-8-34-16(13-33)12-30-25(34)17-6-5-15(28)9-21(17)29;1-14-8-15(28)4-5-17(14)24-30-11-16-13-32(6-7-33(16)24)25(35)19-9-18-20(23(34)26(36)31(2)3)12-29-22(18)10-21(19)27/h5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-12,29H,6-7,13H2,1-3H3
InChIKeyJGLMHAUIFJAGGE-UHFFFAOYSA-N
MW1029.48 g/mol
LogP7.31
Rot. Bonds9

About 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 123497760) has the molecular formula C53H48ClF3N10O7 and a molecular weight of 1029.48 g/mol. Its IUPAC name is 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID123497760
Molecular FormulaC53H48ClF3N10O7
Molecular Weight1029.48 g/mol
Exact Mass1028.33
IUPAC Name2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCn3c(cnc3-c3ccc(F)cc3F)C1)c(C(=O)C(=O)N(C)C)cn2C.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)c[nH]c3cc1Cl)C2
InChIInChI=1S/C27H25F2N5O4.C26H23ClFN5O3/c1-31(2)27(37)24(35)20-14-32(3)22-11-23(38-4)19(10-18(20)22)26(36)33-7-8-34-16(13-33)12-30-25(34)17-6-5-15(28)9-21(17)29;1-14-8-15(28)4-5-17(14)24-30-11-16-13-32(6-7-33(16)24)25(35)19-9-18-20(23(34)26(36)31(2)3)12-29-22(18)10-21(19)27/h5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-12,29H,6-7,13H2,1-3H3
InChIKeyJGLMHAUIFJAGGE-UHFFFAOYSA-N
XLogP7.31
TPSA180.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.48
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

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Related Compounds

2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
(2S,4R)-1-(2-(3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)-1H-indol-1-yl)acetyl)-N-(2''-chloro-2-fluorobiphenyl-3-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126643136
US11001600, Cmp No. 9
CID 135146275
US11001600, Cmp No. 8
CID 135171659
5-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 123695599
[3-acetyl-1-[2-[(4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indol-6-yl]oxymethylphosphonic acid
CID 126622253
(4R)-1-[2-[3-acetyl-6-(diethoxyphosphorylmethoxy)-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 135171846
1-[(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[3-(2-chlorophenyl)-2-fluorophenyl]ethanone
CID 147223920
(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-chloro-6-fluoro-5-phenylcyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine-2-carboxamide
CID 175211174
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
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 123545075
(6-chloro-1-methylindol-5-yl)-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;(2,4-difluorophenyl)-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;(2,4-difluorophenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 123646811

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 123497760) is 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc2c(cc1C(=O)N1CCn3c(cnc3-c3ccc(F)cc3F)C1)c(C(=O)C(=O)N(C)C)cn2C.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)c[nH]c3cc1Cl)C2.
What is the InChIKey of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is JGLMHAUIFJAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O4.C26H23ClFN5O3/c1-31(2)27(37)24(35)20-14-32(3)22-11-23(38-4)19(10-18(20)22)26(36)33-7-8-34-16(13-33)12-30-25(34)17-6-5-15(28)9-21(17)29;1-14-8-15(28)4-5-17(14)24-30-11-16-13-32(6-7-33(16)24)25(35)19-9-18-20(23(34)26(36)31(2)3)12-29-22(18)10-21(19)27/h5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-12,29H,6-7,13H2,1-3H3.
What are the key properties of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 1029.48 g/mol, XLogP of 7.31, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-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-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 123497760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).