5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid

C25H20F3N3O3 — CID 90152726

IUPAC5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(OC(F)(F)F)c3)c21
InChIInChI=1S/C25H20F3N3O3/c1-31-8-7-16-9-18(30-23-21(24(32)33)11-17(13-29-23)14-5-6-14)12-20(22(16)31)15-3-2-4-19(10-15)34-25(26,27)28/h2-4,7-14H,5-6H2,1H3,(H,29,30)(H,32,33)
InChIKeyXVZPYNHFSQRCQT-UHFFFAOYSA-N
MW467.45 g/mol
LogP6.46
Rot. Bonds6

About 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152726) has the molecular formula C25H20F3N3O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152726
Molecular FormulaC25H20F3N3O3
Molecular Weight467.45 g/mol
Exact Mass467.15
IUPAC Name5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(OC(F)(F)F)c3)c21
InChIInChI=1S/C25H20F3N3O3/c1-31-8-7-16-9-18(30-23-21(24(32)33)11-17(13-29-23)14-5-6-14)12-20(22(16)31)15-3-2-4-19(10-15)34-25(26,27)28/h2-4,7-14H,5-6H2,1H3,(H,29,30)(H,32,33)
InChIKeyXVZPYNHFSQRCQT-UHFFFAOYSA-N
XLogP6.46
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid;ethane
CID 144618949
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;2-[[7-(4-cyanophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;ethane
CID 144619087
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059
5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-7-phenylindole-1-carboxylic acid
CID 151546602
4-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]benzoic acid
CID 143761378
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24988290
(1,1-dihydroxy-1,4-thiazinan-4-yl)-[1-methyl-4-[3-(trifluoromethoxy)anilino]pyrrolo[3,2-c]pyridin-7-yl]methanone
CID 68867378
benzoic acid;5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]benzoic acid;ethyl 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]benzoate
CID 162189350
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90152926
methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
CID 90152741

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152726) is 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid is Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(OC(F)(F)F)c3)c21.
What is the InChIKey of 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is XVZPYNHFSQRCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3/c1-31-8-7-16-9-18(30-23-21(24(32)33)11-17(13-29-23)14-5-6-14)12-20(22(16)31)15-3-2-4-19(10-15)34-25(26,27)28/h2-4,7-14H,5-6H2,1H3,(H,29,30)(H,32,33).
What are the key properties of 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 467.45 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).