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

C27H29ClFN5O3 — CID 53083927

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C27H29ClFN5O3/c1-3-14-34-25(36)23-22(24(35)30-13-12-18-4-8-20(28)9-5-18)32-17-33(23)16-27(34,2)26(37)31-15-19-6-10-21(29)11-7-19/h4-11,17H,3,12-16H2,1-2H3,(H,30,35)(H,31,37)
InChIKeyKUAHPMBXDAIWFH-UHFFFAOYSA-N
MW526.01 g/mol
LogP3.59
Rot. Bonds9

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

1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083927) has the molecular formula C27H29ClFN5O3 and a molecular weight of 526.01 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53083927
Molecular FormulaC27H29ClFN5O3
Molecular Weight526.01 g/mol
Exact Mass525.19
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C27H29ClFN5O3/c1-3-14-34-25(36)23-22(24(35)30-13-12-18-4-8-20(28)9-5-18)32-17-33(23)16-27(34,2)26(37)31-15-19-6-10-21(29)11-7-19/h4-11,17H,3,12-16H2,1-2H3,(H,30,35)(H,31,37)
InChIKeyKUAHPMBXDAIWFH-UHFFFAOYSA-N
XLogP3.59
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.01
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083927) is 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is KUAHPMBXDAIWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN5O3/c1-3-14-34-25(36)23-22(24(35)30-13-12-18-4-8-20(28)9-5-18)32-17-33(23)16-27(34,2)26(37)31-15-19-6-10-21(29)11-7-19/h4-11,17H,3,12-16H2,1-2H3,(H,30,35)(H,31,37).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 526.01 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).