3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid

C20H21N3O2 — CID 166287912

IUPAC3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccn2ncc(-c3ccc(CN4CCCCC4)cc3)c2c1
InChIInChI=1S/C20H21N3O2/c24-20(25)17-8-11-23-19(12-17)18(13-21-23)16-6-4-15(5-7-16)14-22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10,14H2,(H,24,25)
InChIKeyKWVNLTXQUTVQLV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.69
Rot. Bonds4

About 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid

3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 166287912) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID166287912
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccn2ncc(-c3ccc(CN4CCCCC4)cc3)c2c1
InChIInChI=1S/C20H21N3O2/c24-20(25)17-8-11-23-19(12-17)18(13-21-23)16-6-4-15(5-7-16)14-22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10,14H2,(H,24,25)
InChIKeyKWVNLTXQUTVQLV-UHFFFAOYSA-N
XLogP3.69
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine
CID 151938074
2-[4-(carboxymethyl)-7-[(4-methylphenyl)methyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 170226705
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
4-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 39161115
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
1-[(4-methylphenyl)methyl]azepane
CID 3951815

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 166287912) is 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1ccn2ncc(-c3ccc(CN4CCCCC4)cc3)c2c1.
What is the InChIKey of 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is KWVNLTXQUTVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(25)17-8-11-23-19(12-17)18(13-21-23)16-6-4-15(5-7-16)14-22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10,14H2,(H,24,25).
What are the key properties of 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 335.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 166287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).