methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate

C21H16FN3O3 — CID 86704739

IUPACmethyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2c(-c3ccccc3)nn3cc(F)ccc23)n1
InChIInChI=1S/C21H16FN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13/h2-12,20,26H,1H3
InChIKeyXSWOCHCZZKAQRE-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.40
Rot. Bonds4

About methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate

methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (PubChem CID 86704739) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
PubChem CID86704739
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Namemethyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2c(-c3ccccc3)nn3cc(F)ccc23)n1
InChIInChI=1S/C21H16FN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13/h2-12,20,26H,1H3
InChIKeyXSWOCHCZZKAQRE-UHFFFAOYSA-N
XLogP3.40
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 86704746
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
6-fluoro-2,3-diphenylpyrazolo[1,5-a]pyridine
CID 164668697
(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol
CID 86704808
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704895
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 86704724
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (CID 86704739) is methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(O)c2c(-c3ccccc3)nn3cc(F)ccc23)n1.
What is the InChIKey of methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The InChIKey is XSWOCHCZZKAQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13/h2-12,20,26H,1H3.
What are the key properties of methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 86704739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).