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

C24H25ClFN3O4 — CID 144561589

IUPAC8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
SMILESCC1CC1CCC1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C24H25ClFN3O4/c1-12-9-14(12)4-6-18-27(2)23(32)20-15-7-8-28(11-13-3-5-17(26)16(25)10-13)22(31)19(15)21(30)24(33)29(18)20/h3,5,10,12,14,18,30H,4,6-9,11H2,1-2H3
InChIKeyUNTZBHHENPEZNT-UHFFFAOYSA-N
MW473.93 g/mol
LogP3.57
Rot. Bonds5

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

8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione (PubChem CID 144561589) has the molecular formula C24H25ClFN3O4 and a molecular weight of 473.93 g/mol. Its IUPAC name is 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione.

Molecular Properties

Compound Name8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
PubChem CID144561589
Molecular FormulaC24H25ClFN3O4
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione
SMILESCC1CC1CCC1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C24H25ClFN3O4/c1-12-9-14(12)4-6-18-27(2)23(32)20-15-7-8-28(11-13-3-5-17(26)16(25)10-13)22(31)19(15)21(30)24(33)29(18)20/h3,5,10,12,14,18,30H,4,6-9,11H2,1-2H3
InChIKeyUNTZBHHENPEZNT-UHFFFAOYSA-N
XLogP3.57
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-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-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione (CID 144561589) is 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione.
What is the SMILES notation for 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The canonical SMILES for 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione is CC1CC1CCC1N(C)C(=O)c2c3c(c(O)c(=O)n21)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.
What is the InChIKey of 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
The InChIKey is UNTZBHHENPEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O4/c1-12-9-14(12)4-6-18-27(2)23(32)20-15-7-8-28(11-13-3-5-17(26)16(25)10-13)22(31)19(15)21(30)24(33)29(18)20/h3,5,10,12,14,18,30H,4,6-9,11H2,1-2H3.
What are the key properties of 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione?
8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione has a molecular weight of 473.93 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-methyl-3-[2-(2-methylcyclopropyl)ethyl]-9,10-dihydro-3H-imidazo[5,1-a][2,6]naphthyridine-1,5,7-trione is sourced from PubChem (CID 144561589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).