methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

C21H20ClN3O3 — CID 123595134

IUPACmethyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H20ClN3O3/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/h5,8-13H,2-4,6-7H2,1H3
InChIKeyLQXGEKOFXMKHMW-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.45
Rot. Bonds4

About methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 123595134) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID123595134
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Namemethyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H20ClN3O3/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/h5,8-13H,2-4,6-7H2,1H3
InChIKeyLQXGEKOFXMKHMW-UHFFFAOYSA-N
XLogP4.45
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichloropyridin-4-yl)-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227411
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-(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-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 123595134) is methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is LQXGEKOFXMKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/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/h5,8-13H,2-4,6-7H2,1H3.
What are the key properties of methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 397.86 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 123595134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).