[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C23H22F2N6O — CID 55818723

IUPAC[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C23H22F2N6O/c1-14-21(15(2)31(28-14)19-7-6-17(24)13-18(19)25)23(32)29-11-8-16(9-12-29)22-27-26-20-5-3-4-10-30(20)22/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyXTXWLKGMAYJSNY-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.83
Rot. Bonds3

About [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 55818723) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID55818723
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C23H22F2N6O/c1-14-21(15(2)31(28-14)19-7-6-17(24)13-18(19)25)23(32)29-11-8-16(9-12-29)22-27-26-20-5-3-4-10-30(20)22/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyXTXWLKGMAYJSNY-UHFFFAOYSA-N
XLogP3.83
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55639056
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705753
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 86905156
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(3S)-1-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 125148672
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 55629140
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 55639183
(3S)-1-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149724
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 55818723) is [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is XTXWLKGMAYJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-14-21(15(2)31(28-14)19-7-6-17(24)13-18(19)25)23(32)29-11-8-16(9-12-29)22-27-26-20-5-3-4-10-30(20)22/h3-7,10,13,16H,8-9,11-12H2,1-2H3.
What are the key properties of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 436.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55818723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).