1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

C21H18F3N3O3 — CID 10432102

IUPAC1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)
InChIKeyNWFVGBIXGVRSLW-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.50
Rot. Bonds4

About 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (PubChem CID 10432102) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
PubChem CID10432102
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)
InChIKeyNWFVGBIXGVRSLW-UHFFFAOYSA-N
XLogP4.50
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-(3-Trifluoromethoxyphenyl)-[1,7]naphthyridin-6-yl]-cyclohexanecarboxylic acid
CID 10158829
4-[8-(3-Methoxy-phenyl)-[1,7]naphthyridin-6-yl]-cyclohexanecarboxylic acid
CID 10270013
2-[3-[3-(6-Methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546779
2-[3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546808
2-[3-[3-(2,6-Dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546826
2-[3-[3-(3-Fluoro-5-propan-2-yloxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547252
3-[6-(Difluoromethoxy)pyridin-3-yl]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 77847003
1-[3-Amino-6-(3-Methoxyphenyl)pyrazin-2-Yl]piperidine-4-Carboxylic Acid
CID 46931216
1-[8-(3-Methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 10090103
2-{3-[3-(4-Fluoro-3-methoxy-phenyl)-pyrazin-2-yl]-azetidin-1-yl}-quinoline
CID 54675581
2-[3-[3-[3-(Trifluoromethoxy)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546760
2-[3-[3-(3-Methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]-1,8-naphthyridine
CID 58546804

Frequently Asked Questions

What is the IUPAC name of 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (CID 10432102) is 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1.
What is the InChIKey of 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The InChIKey is NWFVGBIXGVRSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29).
What are the key properties of 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid has a molecular weight of 417.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 10432102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).