2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C22H24FN5O — CID 56742491

IUPAC2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN5O/c1-27(2)22(29)18-7-4-10-24-21(18)28-11-8-15(9-12-28)20-19(14-25-26-20)16-5-3-6-17(23)13-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyWTSKEAZVKLRIDU-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 56742491) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID56742491
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN5O/c1-27(2)22(29)18-7-4-10-24-21(18)28-11-8-15(9-12-28)20-19(14-25-26-20)16-5-3-6-17(23)13-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyWTSKEAZVKLRIDU-UHFFFAOYSA-N
XLogP3.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 56742493
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56749676
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 155947044
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
[(1R,3S)-3-aminocyclohexyl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895304
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 56750018
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 56742491) is 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is WTSKEAZVKLRIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-27(2)22(29)18-7-4-10-24-21(18)28-11-8-15(9-12-28)20-19(14-25-26-20)16-5-3-6-17(23)13-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 56742491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).