[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C22H22F2N4O2 — CID 71561367

IUPAC[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H22F2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3
InChIKeyZJRNPKXWYGUCBR-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.56
Rot. Bonds4

About [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71561367) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71561367
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H22F2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3
InChIKeyZJRNPKXWYGUCBR-UHFFFAOYSA-N
XLogP4.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423
1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
CID 125299164
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71561367) is [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is ZJRNPKXWYGUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3.
What are the key properties of [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 412.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71561367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).