5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid

C22H17F2N3O3 — CID 121386396

IUPAC5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cncc(C(=O)O)c3)c2c1
InChIInChI=1S/C22H17F2N3O3/c1-12-6-19-21(14-8-15(22(28)29)10-25-9-14)13(2)26-27(19)20(7-12)30-11-16-17(23)4-3-5-18(16)24/h3-10H,11H2,1-2H3,(H,28,29)
InChIKeyKDMNVQGEAQGYRW-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.57
Rot. Bonds5

About 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid

5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid (PubChem CID 121386396) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid
PubChem CID121386396
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cncc(C(=O)O)c3)c2c1
InChIInChI=1S/C22H17F2N3O3/c1-12-6-19-21(14-8-15(22(28)29)10-25-9-14)13(2)26-27(19)20(7-12)30-11-16-17(23)4-3-5-18(16)24/h3-10H,11H2,1-2H3,(H,28,29)
InChIKeyKDMNVQGEAQGYRW-UHFFFAOYSA-N
XLogP4.57
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
CID 158471196
7-[(2-fluoro-6-iodophenyl)methoxy]-2,5-dimethyl-3-(3-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyridine
CID 121386397
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboximidamide
CID 121379409
(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one
CID 160561732
5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
CID 121301924
2-cyclopropyl-7-[(2,6-difluorophenyl)methoxy]-5-methyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 121379349
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
CID 130234406
(2S)-6-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-(methylamino)hexanoic acid
CID 130234400
1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanone
CID 147664055
(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
CID 147844433
methyl 3-[1-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]propan-2-yl]benzoate
CID 121445049
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 130234397

Frequently Asked Questions

What is the IUPAC name of 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid (CID 121386396) is 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cncc(C(=O)O)c3)c2c1.
What is the InChIKey of 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The InChIKey is KDMNVQGEAQGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-12-6-19-21(14-8-15(22(28)29)10-25-9-14)13(2)26-27(19)20(7-12)30-11-16-17(23)4-3-5-18(16)24/h3-10H,11H2,1-2H3,(H,28,29).
What are the key properties of 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid?
5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 409.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121386396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).