2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine

C25H19ClFN5 — CID 71458498

IUPAC2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine
SMILESFc1ccc(-c2ccc(-c3n[nH]c(CCCc4ccc5cccnc5n4)n3)cc2)cc1Cl
InChIInChI=1S/C25H19ClFN5/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-30-23(31-32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2,(H,30,31,32)
InChIKeyLNDNFYQUYLNMEY-UHFFFAOYSA-N
MW443.91 g/mol
LogP6.05
Rot. Bonds6

About 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine

2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine (PubChem CID 71458498) has the molecular formula C25H19ClFN5 and a molecular weight of 443.91 g/mol. Its IUPAC name is 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine
PubChem CID71458498
Molecular FormulaC25H19ClFN5
Molecular Weight443.91 g/mol
Exact Mass443.13
IUPAC Name2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine
SMILESFc1ccc(-c2ccc(-c3n[nH]c(CCCc4ccc5cccnc5n4)n3)cc2)cc1Cl
InChIInChI=1S/C25H19ClFN5/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-30-23(31-32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2,(H,30,31,32)
InChIKeyLNDNFYQUYLNMEY-UHFFFAOYSA-N
XLogP6.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.91
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine with MolForge

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Related Compounds

Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 11504922
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971392
N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222957
N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222965
2-(3-chlorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 44341375
N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 50942632
N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 56935642
N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390291
N-(5-chloro-2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390346
N-(4-fluoro-2-methylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57392125

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine?
The IUPAC name of 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine (CID 71458498) is 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine?
The canonical SMILES for 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine is Fc1ccc(-c2ccc(-c3n[nH]c(CCCc4ccc5cccnc5n4)n3)cc2)cc1Cl.
What is the InChIKey of 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine?
The InChIKey is LNDNFYQUYLNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-30-23(31-32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2,(H,30,31,32).
What are the key properties of 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine?
2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine has a molecular weight of 443.91 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine is sourced from PubChem (CID 71458498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).