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

C20H18ClN3O3 — CID 123191667

IUPACmethyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H18ClN3O3/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/h4,7-12H,2-3,5-6H2,1H3
InChIKeyJACCYEHSCPVHQQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.06
Rot. Bonds4

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

methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 123191667) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID123191667
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Namemethyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H18ClN3O3/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/h4,7-12H,2-3,5-6H2,1H3
InChIKeyJACCYEHSCPVHQQ-UHFFFAOYSA-N
XLogP4.06
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.06
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
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
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-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
6-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123578350
6-[[6-Chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184171
6-[(6-Acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704843
6-[[6-Chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123163794

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 123191667) is methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)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]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is JACCYEHSCPVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/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/h4,7-12H,2-3,5-6H2,1H3.
What are the key properties of methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 383.84 g/mol, XLogP of 4.06, 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-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 123191667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).