8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione

C21H22FN3O4 — CID 67518116

IUPAC8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
SMILESCC(C)C1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)cc1)CC3
InChIInChI=1S/C21H22FN3O4/c1-11(2)18-23(3)20(28)16-14-8-9-24(10-12-4-6-13(22)7-5-12)19(27)15(14)17(26)21(29)25(16)18/h4-7,11,18,26H,8-10H2,1-3H3
InChIKeyBMISXCPZOYGZPG-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.13
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione

8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione (PubChem CID 67518116) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
PubChem CID67518116
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
SMILESCC(C)C1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)cc1)CC3
InChIInChI=1S/C21H22FN3O4/c1-11(2)18-23(3)20(28)16-14-8-9-24(10-12-4-6-13(22)7-5-12)19(27)15(14)17(26)21(29)25(16)18/h4-7,11,18,26H,8-10H2,1-3H3
InChIKeyBMISXCPZOYGZPG-UHFFFAOYSA-N
XLogP2.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione (CID 67518116) is 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione is CC(C)C1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)cc1)CC3.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The InChIKey is BMISXCPZOYGZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-11(2)18-23(3)20(28)16-14-8-9-24(10-12-4-6-13(22)7-5-12)19(27)15(14)17(26)21(29)25(16)18/h4-7,11,18,26H,8-10H2,1-3H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione has a molecular weight of 399.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-propan-2-yl-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione is sourced from PubChem (CID 67518116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).