2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

C28H22F4N6 — CID 53344845

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H22F4N6/c29-25-4-3-20(28(30,31)32)11-24(25)26-12-23(22-2-1-7-35-27(22)37-26)18-10-17(13-34-14-18)19-15-36-38(16-19)21-5-8-33-9-6-21/h1-4,7,10-16,21,33H,5-6,8-9H2
InChIKeyKLXXAOSWEQCJHJ-UHFFFAOYSA-N
MW518.52 g/mol
LogP6.30
Rot. Bonds4

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53344845) has the molecular formula C28H22F4N6 and a molecular weight of 518.52 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID53344845
Molecular FormulaC28H22F4N6
Molecular Weight518.52 g/mol
Exact Mass518.18
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H22F4N6/c29-25-4-3-20(28(30,31)32)11-24(25)26-12-23(22-2-1-7-35-27(22)37-26)18-10-17(13-34-14-18)19-15-36-38(16-19)21-5-8-33-9-6-21/h1-4,7,10-16,21,33H,5-6,8-9H2
InChIKeyKLXXAOSWEQCJHJ-UHFFFAOYSA-N
XLogP6.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.52
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Pyrazolo[1,5-b]pyridazine deriv. 78
CID 6539420
Pyrazolo[1,5-b]pyridazine deriv. 79
CID 6539421
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
7-{4-[(4-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl)methyl]phenyl}-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11556452
N-methyl-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]pyrimidin-2-amine
CID 11664023

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (CID 53344845) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is KLXXAOSWEQCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N6/c29-25-4-3-20(28(30,31)32)11-24(25)26-12-23(22-2-1-7-35-27(22)37-26)18-10-17(13-34-14-18)19-15-36-38(16-19)21-5-8-33-9-6-21/h1-4,7,10-16,21,33H,5-6,8-9H2.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 518.52 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53344845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).