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

C22H28FN5O3 — CID 53083932

IUPAC6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NC(C)C)ncn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN5O3/c1-5-10-28-20(30)18-17(19(29)26-14(2)3)25-13-27(18)12-22(28,4)21(31)24-11-15-6-8-16(23)9-7-15/h6-9,13-14H,5,10-12H2,1-4H3,(H,24,31)(H,26,29)
InChIKeyURQPMKUKRCESEH-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.10
Rot. Bonds7

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

6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083932) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53083932
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NC(C)C)ncn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN5O3/c1-5-10-28-20(30)18-17(19(29)26-14(2)3)25-13-27(18)12-22(28,4)21(31)24-11-15-6-8-16(23)9-7-15/h6-9,13-14H,5,10-12H2,1-4H3,(H,24,31)(H,26,29)
InChIKeyURQPMKUKRCESEH-UHFFFAOYSA-N
XLogP2.10
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98317998
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
1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083952
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137
(6R)-6-methyl-1-N-(3-methylbutyl)-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072149
6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792441
methyl (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800
(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-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93068789
(6S)-6-methyl-1-N-[(3-methylphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072150
6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856
(6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072329

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083932) is 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NC(C)C)ncn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is URQPMKUKRCESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-5-10-28-20(30)18-17(19(29)26-14(2)3)25-13-27(18)12-22(28,4)21(31)24-11-15-6-8-16(23)9-7-15/h6-9,13-14H,5,10-12H2,1-4H3,(H,24,31)(H,26,29).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).