3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide

C22H20F2N6O — CID 86948198

IUPAC3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cn(C)nc3-c3ccc(F)cc3F)cn2)n1
InChIInChI=1S/C22H20F2N6O/c1-13-8-14(2)30(27-13)20-7-4-15(10-25-20)11-26-22(31)18-12-29(3)28-21(18)17-6-5-16(23)9-19(17)24/h4-10,12H,11H2,1-3H3,(H,26,31)
InChIKeyPMPQSMXSZLVVJL-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.49
Rot. Bonds5

About 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide

3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 86948198) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID86948198
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cn(C)nc3-c3ccc(F)cc3F)cn2)n1
InChIInChI=1S/C22H20F2N6O/c1-13-8-14(2)30(27-13)20-7-4-15(10-25-20)11-26-22(31)18-12-29(3)28-21(18)17-6-5-16(23)9-19(17)24/h4-10,12H,11H2,1-3H3,(H,26,31)
InChIKeyPMPQSMXSZLVVJL-UHFFFAOYSA-N
XLogP3.49
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide 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

3-(2,4-difluorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86948170
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 86948044
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
3-(2,4-difluorophenyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86949267
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55969112
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47049114
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008834
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide (CID 86948198) is 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3cn(C)nc3-c3ccc(F)cc3F)cn2)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is PMPQSMXSZLVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-13-8-14(2)30(27-13)20-7-4-15(10-25-20)11-26-22(31)18-12-29(3)28-21(18)17-6-5-16(23)9-19(17)24/h4-10,12H,11H2,1-3H3,(H,26,31).
What are the key properties of 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86948198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).