3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde

C24H18ClF3N4O2 — CID 174612546

IUPAC3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=CC1N=C(c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)NO1
InChIInChI=1S/C24H18ClF3N4O2/c25-20-11-18(7-8-19(20)22-30-21(13-33)34-31-22)32-9-1-2-15-10-16(12-29-23(15)32)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-13,21H,1-2,9H2,(H,30,31)
InChIKeyWKTVMRLXVFNSAG-UHFFFAOYSA-N
MW486.88 g/mol
LogP5.31
Rot. Bonds4

About 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde

3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 174612546) has the molecular formula C24H18ClF3N4O2 and a molecular weight of 486.88 g/mol. Its IUPAC name is 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID174612546
Molecular FormulaC24H18ClF3N4O2
Molecular Weight486.88 g/mol
Exact Mass486.11
IUPAC Name3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=CC1N=C(c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)NO1
InChIInChI=1S/C24H18ClF3N4O2/c25-20-11-18(7-8-19(20)22-30-21(13-33)34-31-22)32-9-1-2-15-10-16(12-29-23(15)32)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-13,21H,1-2,9H2,(H,30,31)
InChIKeyWKTVMRLXVFNSAG-UHFFFAOYSA-N
XLogP5.31
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde with MolForge

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Related Compounds

CID 135926478
CID 135926478
CID 157440810
CID 157440810
CID 174612550
CID 174612550
CID 174612554
CID 174612554
CID 157973823
CID 157973823

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde (CID 174612546) is 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde is O=CC1N=C(c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)NO1.
What is the InChIKey of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is WKTVMRLXVFNSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O2/c25-20-11-18(7-8-19(20)22-30-21(13-33)34-31-22)32-9-1-2-15-10-16(12-29-23(15)32)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-13,21H,1-2,9H2,(H,30,31).
What are the key properties of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde?
3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 486.88 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 174612546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).