5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C18H15ClFN3O2 — CID 141369880

IUPAC5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)cc12
InChIInChI=1S/C18H15ClFN3O2/c19-15-4-3-11(20)8-13(15)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h3-5,7-10,16H,1-2,6H2,(H,24,25)/t16-/m1/s1
InChIKeyQEAAHDZKWPOQGX-MRXNPFEDSA-N
MW359.79 g/mol
LogP4.17
Rot. Bonds3

About 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 141369880) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID141369880
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)cc12
InChIInChI=1S/C18H15ClFN3O2/c19-15-4-3-11(20)8-13(15)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h3-5,7-10,16H,1-2,6H2,(H,24,25)/t16-/m1/s1
InChIKeyQEAAHDZKWPOQGX-MRXNPFEDSA-N
XLogP4.17
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123578350
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrrole-3-carboxylic acid
CID 137643436
3-chloro-1-(2,6-dichlorobenzyl)-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152280
3-Chloro-1-[(2-chloro-6-methylphenyl)methyl]pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152281
1-(2,6-dichlorobenzyl)-3-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68183811
1-[(2-Chloro-6-methylphenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184015
1-[(2,6-Dichlorophenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184516
4-[1-[(2,6-Dichlorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73295208
2-Phenylpyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 12872295
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 141369880) is 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)cc12.
What is the InChIKey of 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is QEAAHDZKWPOQGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-15-4-3-11(20)8-13(15)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h3-5,7-10,16H,1-2,6H2,(H,24,25)/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 359.79 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 141369880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).