(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

About (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

(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 (PubChem CID 95072592) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name	(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
PubChem CID	95072592
Molecular Formula	C28H30FN5O3
Molecular Weight	503.58 g/mol
Exact Mass	503.23
IUPAC Name	(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
SMILES	C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1
InChI	InChI=1S/C28H30FN5O3/c1-28(27(37)31-16-20-9-11-21(29)12-10-20)17-33-18-32-23(24(33)26(36)34(28)22-13-14-22)25(35)30-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3,(H,30,35)(H,31,37)/t28-/m0/s1
InChIKey	JPDYAKNSIGWXEI-NDEPHWFRSA-N
XLogP	3.08
TPSA	96.33 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1.

What is the InChIKey of (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?

The InChIKey is JPDYAKNSIGWXEI-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H30FN5O3/c1-28(27(37)31-16-20-9-11-21(29)12-10-20)17-33-18-32-23(24(33)26(36)34(28)22-13-14-22)25(35)30-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3,(H,30,35)(H,31,37)/t28-/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 503.58 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 95072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).