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

C23H27BrFN5O3 — CID 53007503

IUPAC1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)Nc3ccc(Br)cc3F)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H27BrFN5O3/c1-3-10-30-21(32)19-18(20(31)28-17-9-8-14(24)11-16(17)25)26-13-29(19)12-23(30,2)22(33)27-15-6-4-5-7-15/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyYBMUFEAENQBRKR-UHFFFAOYSA-N
MW520.40 g/mol
LogP3.72
Rot. Bonds6

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

1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53007503) has the molecular formula C23H27BrFN5O3 and a molecular weight of 520.40 g/mol. Its IUPAC name is 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53007503
Molecular FormulaC23H27BrFN5O3
Molecular Weight520.40 g/mol
Exact Mass519.13
IUPAC Name1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)Nc3ccc(Br)cc3F)ncn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H27BrFN5O3/c1-3-10-30-21(32)19-18(20(31)28-17-9-8-14(24)11-16(17)25)26-13-29(19)12-23(30,2)22(33)27-15-6-4-5-7-15/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyYBMUFEAENQBRKR-UHFFFAOYSA-N
XLogP3.72
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084021
(6R)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-1-N-(2,4,6-trimethylphenyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058853
(6S)-6-N-cyclopentyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058868
(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98318050
(6R)-1-N-[(2-chlorophenyl)methyl]-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058839
6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084026
(6R)-6-N-cyclopentyl-7-ethyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058802
(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058815
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742987
methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 20916712
methyl 6-(cycloheptylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 11656206

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53007503) is 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)Nc3ccc(Br)cc3F)ncn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is YBMUFEAENQBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrFN5O3/c1-3-10-30-21(32)19-18(20(31)28-17-9-8-14(24)11-16(17)25)26-13-29(19)12-23(30,2)22(33)27-15-6-4-5-7-15/h8-9,11,13,15H,3-7,10,12H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 520.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2-fluorophenyl)-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53007503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).