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

C20H20ClN3O3 — CID 123171925

IUPACmethyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H20ClN3O3/c1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12/h4,7-12,19,25H,2-3,5-6H2,1H3
InChIKeyGXIJVMLUAXJPGL-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.91
Rot. Bonds4

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

methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (PubChem CID 123171925) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
PubChem CID123171925
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Namemethyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H20ClN3O3/c1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12/h4,7-12,19,25H,2-3,5-6H2,1H3
InChIKeyGXIJVMLUAXJPGL-UHFFFAOYSA-N
XLogP3.91
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate with MolForge

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Related Compounds

3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Cyclopropyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704858
6-[[6-Chloro-2-(morpholin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704880
6-[[6-Chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123463167
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (CID 123171925) is methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
The InChIKey is GXIJVMLUAXJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12/h4,7-12,19,25H,2-3,5-6H2,1H3.
What are the key properties of methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?
methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate has a molecular weight of 385.85 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 123171925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).