3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

C21H22N4O2 — CID 147508081

IUPAC3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27)
InChIKeyFISSYKWXTDGWQN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.16
Rot. Bonds5

About 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 147508081) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID147508081
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27)
InChIKeyFISSYKWXTDGWQN-UHFFFAOYSA-N
XLogP3.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
1-(2-Aminoethyl)-3-[2-(Quinolin-3-Yl)pyridin-4-Yl]-1h-Pyrazole-5-Carboxylic Acid
CID 9826115
4'-[(2-Aminoethyl)carbamoyl]-2,2'-Bipyridine-4-Carboxylic Acid
CID 45377880
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
4-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305819
2-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305917
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
2-[1-[2-[Hexyl(methyl)amino]ethyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 168148191

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 147508081) is 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Cc1nn(C2CCCNC2)cc1-c1ccccc1.
What is the InChIKey of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is FISSYKWXTDGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-25(24-20)17-7-4-9-22-13-17/h1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27).
What are the key properties of 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147508081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).