2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

C23H20FN3O5S — CID 90333589

IUPAC2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H20FN3O5S/c1-26(33(2,30)31)19-13-27-18(12-20(19)32-14-15-6-4-3-5-7-15)21(23(28)29)22(25-27)16-8-10-17(24)11-9-16/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeyRFLHERUKOBZQSI-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.81
Rot. Bonds7

About 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 90333589) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID90333589
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H20FN3O5S/c1-26(33(2,30)31)19-13-27-18(12-20(19)32-14-15-6-4-3-5-7-15)21(23(28)29)22(25-27)16-8-10-17(24)11-9-16/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeyRFLHERUKOBZQSI-UHFFFAOYSA-N
XLogP3.81
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233693
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
dimethyl 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388460
[5-[2,5-bis(dimethylamino)-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate
CID 23538689
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid
CID 59324710
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-phenylmethanone
CID 134851224
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 90333589) is 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid is CN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is RFLHERUKOBZQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-26(33(2,30)31)19-13-27-18(12-20(19)32-14-15-6-4-3-5-7-15)21(23(28)29)22(25-27)16-8-10-17(24)11-9-16/h3-13H,14H2,1-2H3,(H,28,29).
What are the key properties of 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 469.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 90333589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).