8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine

C24H19ClF2N4 — CID 24898530

IUPAC8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine
SMILESFc1ccc(-c2cc(N3CCNCC3)nc3c(-c4ccccc4Cl)nccc23)c(F)c1
InChIInChI=1S/C24H19ClF2N4/c25-20-4-2-1-3-18(20)23-24-17(7-8-29-23)19(16-6-5-15(26)13-21(16)27)14-22(30-24)31-11-9-28-10-12-31/h1-8,13-14,28H,9-12H2
InChIKeyBPIROPIUWUYRIC-UHFFFAOYSA-N
MW436.89 g/mol
LogP5.30
Rot. Bonds3

About 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine

8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine (PubChem CID 24898530) has the molecular formula C24H19ClF2N4 and a molecular weight of 436.89 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine
PubChem CID24898530
Molecular FormulaC24H19ClF2N4
Molecular Weight436.89 g/mol
Exact Mass436.13
IUPAC Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine
SMILESFc1ccc(-c2cc(N3CCNCC3)nc3c(-c4ccccc4Cl)nccc23)c(F)c1
InChIInChI=1S/C24H19ClF2N4/c25-20-4-2-1-3-18(20)23-24-17(7-8-29-23)19(16-6-5-15(26)13-21(16)27)14-22(30-24)31-11-9-28-10-12-31/h1-8,13-14,28H,9-12H2
InChIKeyBPIROPIUWUYRIC-UHFFFAOYSA-N
XLogP5.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine (CID 24898530) is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine.
What is the SMILES notation for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The canonical SMILES for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine is Fc1ccc(-c2cc(N3CCNCC3)nc3c(-c4ccccc4Cl)nccc23)c(F)c1.
What is the InChIKey of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The InChIKey is BPIROPIUWUYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4/c25-20-4-2-1-3-18(20)23-24-17(7-8-29-23)19(16-6-5-15(26)13-21(16)27)14-22(30-24)31-11-9-28-10-12-31/h1-8,13-14,28H,9-12H2.
What are the key properties of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine?
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine has a molecular weight of 436.89 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-2-piperazin-1-yl-1,7-naphthyridine is sourced from PubChem (CID 24898530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).