5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid

C22H12F6N4O2 — CID 58628195

IUPAC5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)11-3-5-12(6-4-11)30-19-13-7-8-15(31-16(13)10-17(32-19)20(33)34)18-14(22(26,27)28)2-1-9-29-18/h1-10H,(H,30,32)(H,33,34)
InChIKeyWLMKRMRQWLWSBA-UHFFFAOYSA-N
MW478.35 g/mol
LogP6.17
Rot. Bonds4

About 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid

5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid (PubChem CID 58628195) has the molecular formula C22H12F6N4O2 and a molecular weight of 478.35 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid
PubChem CID58628195
Molecular FormulaC22H12F6N4O2
Molecular Weight478.35 g/mol
Exact Mass478.09
IUPAC Name5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)11-3-5-12(6-4-11)30-19-13-7-8-15(31-16(13)10-17(32-19)20(33)34)18-14(22(26,27)28)2-1-9-29-18/h1-10H,(H,30,32)(H,33,34)
InChIKeyWLMKRMRQWLWSBA-UHFFFAOYSA-N
XLogP6.17
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid with MolForge

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Related Compounds

2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030297
2-(1-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 87779877
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-2-carboxylic acid
CID 59811146
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537006
2-[1-(azocan-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 87758901
2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030052
N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10216740
N-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]methanesulfonamide
CID 22030526
2-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]pyridine-3-carboxylic acid
CID 22030503
2-[4-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperazin-1-yl]ethanol
CID 22030140
2-methyl-2-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methylamino]propan-1-ol
CID 22030071
2-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030363

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid (CID 58628195) is 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1cc2nc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is WLMKRMRQWLWSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N4O2/c23-21(24,25)11-3-5-12(6-4-11)30-19-13-7-8-15(31-16(13)10-17(32-19)20(33)34)18-14(22(26,27)28)2-1-9-29-18/h1-10H,(H,30,32)(H,33,34).
What are the key properties of 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid?
5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 478.35 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 58628195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).