7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C25H22F3N5O3 — CID 53084149

IUPAC7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1
InChIInChI=1S/C25H22F3N5O3/c1-25(24(36)29-11-14-2-4-15(26)5-3-14)12-32-13-30-20(21(32)23(35)33(25)17-7-8-17)22(34)31-19-10-16(27)6-9-18(19)28/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,29,36)(H,31,34)
InChIKeyADGGZYGTFDEFQL-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.25
Rot. Bonds6

About 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084149) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084149
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1
InChIInChI=1S/C25H22F3N5O3/c1-25(24(36)29-11-14-2-4-15(26)5-3-14)12-32-13-30-20(21(32)23(35)33(25)17-7-8-17)22(34)31-19-10-16(27)6-9-18(19)28/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,29,36)(H,31,34)
InChIKeyADGGZYGTFDEFQL-UHFFFAOYSA-N
XLogP3.25
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072635
(6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072562
methyl 2-[[(6R)-7-cyclopropyl-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]benzoate
CID 95072585
(6R)-1-N-cyclohexyl-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072645
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072637
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072510
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(3-phenylpropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072592
(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073042
(6R)-1-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072565
(6S)-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072934
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072654
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-1-N-[2-(furan-2-yl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072656

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084149) is 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1.
What is the InChIKey of 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is ADGGZYGTFDEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-25(24(36)29-11-14-2-4-15(26)5-3-14)12-32-13-30-20(21(32)23(35)33(25)17-7-8-17)22(34)31-19-10-16(27)6-9-18(19)28/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,29,36)(H,31,34).
What are the key properties of 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).